Data quality metrics extracted from 3tc1.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary and a MXLIMS-compatible JSON representation.

Experimental information for 3TC1 at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
MAD
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Photon Factory
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL-17A
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2009-05-20
Detector
_diffrn_detector.type
RIGAKU RAXIS
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97888, 0.97926, 0.96403
Software
Data collection
_software.classification
HKL-2000
Data reduction
_software.classification
MOSFLM (Andrew G.W. Leslie; andrew@mrc-lmb.cam.ac.uk)
Data scaling
_software.classification
SCALA (3.2.25; 21/9/2006; Phil R. Evans; pre@mrc-lmb.cam.ac.uk)
Phasing #1
_software.classification
DM (6.0; Kevin Cowtan; kowtan@ysbl.york.ac.uk)
Phasing #2
_software.classification
SOLVE
Refinement
_software.classification
CNS (Axel T. Brunger; axel.brunger@yale.edu)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 41 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
109.33 109.33 103.41 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979010.978880.979260.96403 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 54.665 54.665 2.110
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.000 6.320 2.000
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.091 0.048 0.366
Rmeas 
_reflns_shell.pdbx_Rrim_I_all
 - 0.049 0.378
Rpim 
_reflns_shell.pdbx_Rpim_I_all
 - 0.010 0.093
Total number of observations 
_reflns_shell.number_measured_all
 - 38587 96179
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 42895 1534 6108
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 31.50 8.90 2.00
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.9 99.8 99.3
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 26.3 25.2 15.7
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
3TC1
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2011-08-08
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
54.6 - 2.000 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2006 / 0.2394
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD