Data quality metrics extracted from 4xp8.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 4XP8 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
ALS BEAMLINE 8.2.1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
8.2.1
Temperature [K]
_diffrn.ambient_temp
200
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2013-12-08
Detector
_diffrn_detector.type
ADSC QUANTUM 315r
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9795, 0.9797, 0.9611
Software
Data scaling #1
_software.classification
Aimless (0.2.14)
Data scaling #2
_software.classification
XSCALE
Phasing
_software.classification
SHARP
Refinement
_software.classification
REFMAC (5.8.0103)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 31 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
31.40 31.40 149.53 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979500.979700.96110 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 29.900 29.900 2.090
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.030 8.850 2.030
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.111 0.047 0.758
  Rmeas - - -
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.046 0.023 0.298
Total number of observations 
_reflns.pdbx_number_measured_all _reflns_shell.number_measured_all
 41538 477 3510
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 6064 100 481
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 14.00 25.90 3.20
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.0 95.2 99.5
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 6.8 4.8 7.3
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.997 0.997 0.856

Refinement
PDB entry ID
_entry.id
4XP8
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2015-01-16
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
29.9 - 2.030 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2075 / 0.2441