Data quality metrics extracted from 5j2p.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 5J2P 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 4.2.2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
4.2.2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CMOS
Collection date
_diffrn_detector.pdbx_collection_date
2015-10-02
Detector
_diffrn_detector.type
RDI CMOS_8M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.000
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
Aimless (0.5.12)
Phasing
_software.classification
PHASER (2.5.7)
Refinement
_software.classification
PHENIX
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 2 2 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
165.977 170.183 99.695 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.00000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 63.780 63.780 2.620
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.530 9.800 2.530
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.103 0.025 0.848
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.111 0.027 0.917
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.041 0.010 0.346
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 337771 6121 27230
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 46900 908 4071
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.pdbx_netI_over_sigmaI_obs
 16.70 56.20 2.00
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 98.9 99.4 88.6
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 7.2 6.7 6.7
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.998 0.999 0.751

Refinement
PDB entry ID
_entry.id
5J2P
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2016-03-29
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
63.8 - 2.530 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1933 / 0.2462
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
pdbid 5J2M