Data quality metrics extracted from 1vly.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 1VLY 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 BL11-1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SSRL
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL11-1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2004-07-05
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.979508,0.885567
Software
Data reduction
_software.classification
MOSFLM
Data scaling #1
_software.classification
SCALA (4.2))
Data scaling #2
_software.classification
CCP4 (SCALA)
Phasing
_software.classification
SHARP
Refinement
_software.classification
REFMAC (5.2.0005)
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}
44.814 50.080 52.014 94.68 115.29 116.46
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979130.979510.88557 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 26.450 1.370
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.300 1.300
Rmerge 
_reflns.pdbx_Rsym_value _reflns_shell.pdbx_Rsym_value
 0.036 0.339
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 75749 7630
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 17.50 3.20
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 89.3 61.5
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 3.2 2.0
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1VLY
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2004-08-20
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
26.4 - 1.300 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1340 / 0.1678
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD