Data quality metrics extracted from 3q7m.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 3Q7M 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
APS BEAMLINE 23-ID-B
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
23-ID-B
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2010-08-08
Detector
_diffrn_detector.type
MAR scanner 300 mm plate
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97944, 0.97960, 0.94944
Software
Data collection
_software.classification
Blu-Ice
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
PHENIX (- AutoSol - Solve)
Model building
_software.classification
PHENIX (- AutoSol - Solve)
Refinement
_software.classification
PHENIX (phenix.refine: dev_572)
General information
Spacegroup name
_symmetry.space_group_name_H-M
I 2 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
50.318 121.437 134.291 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.000000.979440.979600.94944 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 1.710
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.650 1.650
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.080 0.880
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 48256 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 24.10 1.60
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.0 99.9
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 5.1 4.9
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3Q7M
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2011-01-05
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
19.4 - 1.651 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1633 / 0.1925
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD