Data quality metrics extracted from 2hzr.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 2HZR 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
ESRF BEAMLINE ID14-4
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ESRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
ID14-4
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2005-07-11
Detector
_diffrn_detector.type
ADSC QUANTUM 4
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97940,0.97969,0.96863
Software
Data collection
_software.classification
ADSC (Quantum)
Data reduction
_software.classification
MOSFLM
Data scaling
_software.classification
SCALA (Phil Evans; pre@mrc-lmb.cam.ac.uk)
Phasing
_software.classification
SHARP (de La Fortelle; sharp-develop@globalphasing.com)
Refinement
_software.classification
REFMAC (Murshudov, G.N.; ccp4@dl.ac.uk)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 43 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
49.247 49.247 143.486 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979400.979690.96863 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 46.580 49.270 1.900
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.800 5.690 1.800
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.067 0.051 0.285
  Rmeas - - -
  Rpim - - -
Total number of observations 
_reflns_shell.number_measured_all
 - 7194 35742
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 17002 602 2437
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 6.40 12.00 2.20
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.1 95.2 98.7
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 15.0 12.0 14.7
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
2HZR
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2006-08-09
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
30.0 - 1.800 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2020 / 0.2500
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD