Data quality metrics extracted from 3hvn.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 3HVN 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
PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
Photon Factory
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL-17A
Temperature [K]
_diffrn.ambient_temp
170
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2008-12-01
Detector
_diffrn_detector.type
ADSC QUANTUM 270
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97866, 0.97934, 0.96410
Software
Data reduction
_software.classification
DENZO (Zbyszek Otwinowski; hkl@hkl-xray.com)
Data scaling
_software.classification
SCALEPACK (Zbyszek Otwinowski; hkl@hkl-xray.com)
Phasing #1
_software.classification
SOLVE (Tom Terwilliger; terwilliger@LANL.gov)
Phasing #2
_software.classification
RESOLVE (Thomas C. Terwilliger; terwilliger@lanl.gov)
Refinement
_software.classification
PHENIX (Paul D. Adams; PDAdams@lbl.gov)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 31 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
95.720 95.720 117.046 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.000000.978660.979340.96410 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 50.000 2.950
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.850 6.140 2.850
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.052 0.043 0.316
  Rmeas - - -
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 13204 1378 968
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 30.36 - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 88.5 85.5 66.4
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 5.7 5.6 5.6
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
3HVN
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2009-06-16
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
28.4 - 2.852 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2790 / 0.2940
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD