Data quality metrics extracted from 1o0w.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 1O0W 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
SSRL BEAMLINE BL9-2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SSRL
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL9-2
Temperature [K]
_diffrn.ambient_temp
100.0
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2002-03-31
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.979321, 0.978964, 0.918370
Software
Data collection
_software.classification
Blu-Ice
Data reduction #1
_software.classification
MOSFLM
Data reduction #2
_software.classification
CCP4
Data scaling #1
_software.classification
SCALA
Data scaling #2
_software.classification
CCP4 (SCALA)
Phasing #1
_software.classification
SnB
Phasing #2
_software.classification
MLPHARE
Phasing #3
_software.classification
SOLVE
Model building
_software.classification
CCP4
Refinement
_software.classification
CNS (1.1)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
36.0 58.5 70.2 67.2 92.0 77.7
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979320.978960.91837 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 34.899 2.100
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.995 1.990
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.068 0.270
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 32670 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 11.60 3.80
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 93.7 88.4
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.9 3.9
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1O0W
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2002-09-13
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
25.0 - 2.000 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1950 / 0.2300
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD