Data quality metrics extracted from 2ho1.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 2HO1 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 X12C
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
NSLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X12C
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2006-02-17
Detector
_diffrn_detector.type
ADSC QUANTUM 210
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.980301, 0.95
Software
Data reduction
_software.classification
d*TREK
Data scaling
_software.classification
d*TREK (9.5L; Oct 4 2005; Pflugrath, J.W.; jwp@RigakuMSC.com)
Phasing
_software.classification
SnB (Weeks, C.M; bnp-help@hwi.buffalo.edu)
Refinement
_software.classification
CNS (Axel T. Brunger; axel.brunger@yale.edu)
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}
137.099 69.047 70.126 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.980300.95000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 31.300 28.260 2.070
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.000 4.300 2.000
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.061 0.034 0.597
  Rmeas - - -
  Rpim - - -
Total number of observations 
_reflns_shell.number_measured_all
 - 32519 30473
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 45900 4852 4524
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 10.70 28.80 2.00
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.8 99.7 100.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 7.0 6.7 6.6
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
2HO1
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2006-07-13
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
31.3 - 2.000 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2090 / 0.2480
Structure solution method
_refine.pdbx_method_to_determine_struct
SAD