Data quality metrics extracted from 3q9l.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 3Q9L 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
SSRL BEAMLINE BL11-1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SSRL
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL11-1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2007-12-04
Detector
_diffrn_detector.type
MAR 325
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9184,0.9788,0.9794
Software
Data collection
_software.classification
HKL-2000
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK (Zbyszek Otwinowski; hkl@hkl-xray.com)
Phasing #1
_software.classification
SOLVE (2.13; 6-Sept-2007; Tom Terwilliger; terwilliger@LANL.gov)
Phasing #2
_software.classification
RESOLVE (2.13; 19-Sept-2007; Thomas C. Terwilliger; terwilliger@lanl.gov)
Refinement
_software.classification
PHENIX (1.6.4_486; Paul D. Adams; PDAdams@lbl.gov)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
83.664 86.595 110.714 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.918400.978800.97940 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 29.032 100.000 2.430
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.343 5.060 2.350
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.092 0.040 0.565
  Rmeas - - -
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 33165 3639 3200
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 6.40 - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 96.8 99.2 94.6
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.8 3.8 3.6
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
3Q9L
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2011-01-08
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
29.0 - 2.343 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2662 / 0.3068
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD