Data quality metrics extracted from 5byp.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 5BYP 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
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2013-05-23
Detector
_diffrn_detector.type
DECTRIS PILATUS 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97839,0.91837,0.9798
Software
Data scaling #1
_software.classification
XDS
Data scaling #2
_software.classification
XSCALE (January 10, 2014 BUILT=20140307)
Phasing #1
_software.classification
SHELX
Phasing #2
_software.classification
SHARP
Phasing #3
_software.classification
SHELXD
Refinement #1
_software.classification
BUSTER-TNT (2.10.0)
Refinement #2
_software.classification
BUSTER (2.10.0)
General information
Spacegroup name
_symmetry.space_group_name_H-M
I 41 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
64.80 64.80 235.93 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.978390.918370.97980 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 42.712 42.712 2.640
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.600 5.460 2.550
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.043 0.026 1.054
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.047 0.028 1.175
  Rpim - - -
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_obs
 73713 7804 2885
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 8129 1603 584
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 20.71 49.30 1.20
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 93.4 99.3 37.8
Multiplicity 
_reflns.pdbx_redundancy
 5.0 - -
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
5BYP
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2015-06-10
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
42.7 - 2.600 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2471 / 0.2998
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD