Data quality metrics extracted from 3f41.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 3F41 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
ALS BEAMLINE 8.3.1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
8.3.1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2006-09-21
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.2150,1.2146,1.1579
Software
Data collection
_software.classification
ADSC (Quantum)
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
SOLVE (2.12; 14-Oct-2006; Tom Terwilliger; terwilliger@LANL.gov)
Phasing #2
_software.classification
RESOLVE (2.12; 14-Oct-2006; Thomas C. Terwilliger; terwilliger@lanl.gov)
Refinement
_software.classification
CNS (Axel T. Brunger; axel.brunger@yale.edu)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1 21 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
74.391 73.304 161.310 90.00 93.71 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
1.215001.214601.15790 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 66.000 2.420
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.300 2.300
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.088 0.293
  Rmeas - -
  Rpim - -
Total number of observations 
_reflns_shell.number_measured_all
 - 28896
Total number unique 
_reflns_shell.number_unique_all
 - 10243
<I/σ(I)> 
_reflns_shell.meanI_over_sigI_obs
 - 2.20
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 96.5 91.4
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.2 2.8
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3F41
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2008-10-31
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 2.300 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2080 / 0.2540
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD