Data quality metrics extracted from 3no0.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 3NO0 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
ALS BEAMLINE 8.3.1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
8.3.1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2007-05-09
Detector
_diffrn_detector.type
ADSC QUANTUM 315r
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.214
Software
Data collection
_software.classification
HKL-2000
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
SCALA
Phasing
_software.classification
SOLVE
Refinement
_software.classification
PHENIX (phenix.refine: 1.5_2)
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}
43.513 49.624 120.350 91.57 99.75 113.48
Wavelength
_diffrn_radiation_wavelength.wavelength
1.100001.071001.21400 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 40.851 1.315
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.300 1.300
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.031 0.357
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 208073 18736
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 28.20 2.40
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 93.6 84.8
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.4 2.5
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3NO0
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2010-06-24
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
40.9 - 1.300 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1725 / 0.1894
Structure solution method
_refine.pdbx_method_to_determine_struct
MIRAS