Data quality metrics extracted from 5uhc.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 5UHC 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
APS BEAMLINE 19-ID
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
19-ID
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2016-04-09
Detector
_diffrn_detector.type
DECTRIS PILATUS3 6M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.033
Software
Data reduction #1
_software.classification
HKL-2000
Data reduction #2
_software.classification
DENZO
Data scaling #1
_software.classification
HKL-2000
Data scaling #2
_software.classification
SCALEPACK
Phasing
_software.classification
PHENIX
Refinement
_software.classification
PHENIX
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
150.050 167.390 195.228 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.03300 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 50.000 3.940
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 3.800 8.180 3.800
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.169 0.091 0.903
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.178 0.095 0.965
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.053 0.026 0.331
Total number of observations 
_reflns.pdbx_number_measured_all
 476036 - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 48275 5205 4594
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 6.80 - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 97.4 99.4 94.3
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 9.9 12.4 7.5
CC(1/2) 
_reflns_shell.pdbx_CC_half
 - 0.985 0.343

Refinement
PDB entry ID
_entry.id
5UHC
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2017-01-11
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
48.8 - 3.796 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2044 / 0.2669