Data quality metrics extracted from 2r0z.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 2R0Z 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
SYNCHROTRON
Source details
_diffrn_source.type
APS BEAMLINE 14-BM-C
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
14-BM-C
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2006-08-11
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.90
Software
Data collection
_software.classification
Crystal (Clear)
Data reduction #1
_software.classification
DENZO (Zbyszek Otwinowski; zbyszek@mix.swmed.edu)
Data reduction #2
_software.classification
HKL-2000
Data scaling
_software.classification
SCALEPACK (Zbyszek Otwinowski; zbyszek@mix.swmed.edu)
Phasing
_software.classification
MOLREP (A. Vagin; alexei@ysbl.york.ac.uk)
Refinement
_software.classification
REFMAC (Murshudov, G.N.; ccp4@dl.ac.uk)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1 21 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
41.467 112.243 43.174 90.00 93.43 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
1.541780.90000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 40.000 40.000 2.180
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.096 4.520 2.096
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.162 0.106 0.223
  Rmeas - - -
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 20023 2317 1513
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 9.50 - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 87.6 99.4 65.6
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 4.6 5.9 2.8
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
2R0Z
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2007-08-21
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
33.3 - 2.096 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2010 / 0.2610
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