Data quality metrics extracted from 3nhv.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 3NHV 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
NSLS BEAMLINE X4C
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
NSLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X4C
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2010-06-05
Detector
_diffrn_detector.type
MAR CCD 165 mm
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97877
Software
Data collection
_software.classification
ADSC (Quantum)
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing #1
_software.classification
SHELX
Phasing #2
_software.classification
SOLVE
Phasing #3
_software.classification
RESOLVE
Refinement #1
_software.classification
CNS (1.2)
Refinement #2
_software.classification
REFMAC (Murshudov, G.N.; ccp4@dl.ac.uk)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 3
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
145.873 145.873 145.873 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97877 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 2.520
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.430 2.430
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.070 0.443
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 73851 5750
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 34.97 3.50
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 97.4 76.5
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 6.1 3.7
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3NHV
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2010-06-14
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
19.9 - 2.500 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1950 / 0.2470
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD