Data quality metrics extracted from 3t0m.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 3T0M at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
SINGLE WAVELENGTH
Source type
_diffrn_source.source
ROTATING ANODE
Source details
_diffrn_source.type
RIGAKU MICROMAX-007 HF
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X10SA
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2011-04-14
Detector
_diffrn_detector.type
MAR scanner 345 mm plate
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.5418
Software
Data reduction
_software.classification
XDS
Data scaling #1
_software.classification
XSCALE (Wolfgang Kabsch)
Data scaling #2
_software.classification
XDS
Phasing
_software.classification
PHASER (2.2.1; Tue Aug 24 18:17:37 2010; Randy J. Read; cimr-phaser@lists.cam.ac.uk)
Refinement
_software.classification
REFMAC (Garib N. Murshudov; garib@ysbl.york.ac.uk)
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 2 2 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
82.09 112.30 62.37 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.977801.54180 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 45.420 45.420 1.700
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.620 12.000 1.620
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.090 0.050 0.388
  Rmeas - - -
  Rpim - - -
Total number of observations 
_reflns_shell.number_measured_obs
 - 745 21990
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 36467 111 4759
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 13.87 27.66 4.04
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.6 94.9 96.7
Multiplicity 
_reflns.pdbx_redundancy
 6.7 - -
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
3T0M
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2011-07-20
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
45.4 - 1.620 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1552 / 0.1978
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
WARNING: no starting model (for MR) given