Data quality metrics extracted from 3q5w.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 3Q5W 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
2008-12-23
Detector
_diffrn_detector.type
ADSC QUANTUM 4
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9790, 0.9780, 0.939
Software
Data collection
_software.classification
ADSC (Quantum)
Data reduction
_software.classification
MOSFLM
Data scaling
_software.classification
SCALA
Phasing
_software.classification
SOLVE
Refinement
_software.classification
CNS (1.2)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
35.66 51.18 71.33 103.92 100.02 98.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979000.978000.93900 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 67.600
High resolution limit [Å] 
_reflns.d_resolution_high
 2.750
Rmerge 
_reflns.pdbx_Rmerge_I_obs
 0.065
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 11764
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 19.00
Completeness [%] 
_reflns.percent_possible_obs
 94.0
Multiplicity 
_reflns.pdbx_redundancy
 2.0
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
3Q5W
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2010-12-30
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
67.6 - 2.750 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2310 / 0.2760
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD