Data quality metrics extracted from 2b5a.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 2B5A 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 BL1-5
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SSRL
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL1-5
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2002-05-24
Detector
_diffrn_detector.type
ADSC QUANTUM 4
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.0061, 1.0088, 0.9076
Software
Data collection
_software.classification
Blu-Ice
Data reduction
_software.classification
DENZO (Zbyszek Otwinowski; zbyszek@mix.swmed.edu)
Data scaling
_software.classification
SCALEPACK (Zbyszek Otwinowski; zbyszek@mix.swmed.edu)
Phasing #1
_software.classification
MLPHARE (Z.Otwinowski or E.Dodson; ccp4@dl.ac.uk, ccp4@yorvic.york.ac.uk)
Phasing #2
_software.classification
DM (5.0; K. Cowtan; ccp4@dl.ac.uk)
Refinement
_software.classification
REFMAC (refmac_5.2.0005; 24/04/2001; Murshudov, G.N.; ccp4@dl.ac.uk)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
63.205 65.016 73.296 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.080001.006101.008800.90760 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 99.000 1.560
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.540 1.540
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.051 0.457
  Rmeas - -
  Rpim - -
Total number of observations 
_reflns_shell.number_measured_obs
 - 1526
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 44934 1526
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 38.00 3.20
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.3 68.4
Multiplicity 
_reflns.pdbx_redundancy
 5.9 -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
2B5A
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2005-09-28
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
19.7 - 1.543 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1652 / 0.2005
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD