Data quality metrics extracted from 5y1q.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 5Y1Q 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
ROTATING ANODE
Source details
_diffrn_source.type
RIGAKU MICROMAX-007 HF
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2016-06-05
Detector
_diffrn_detector.type
RIGAKU RAXIS IV++
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.54
Software
Data collection
_software.classification
DENZO (2.3.1)
Data reduction
_software.classification
DENZO (2.3.1)
Data scaling
_software.classification
SCALEPACK (2.2.0)
Model building
_software.classification
MOLREP (11.4.05; 02.04.2016)
Refinement
_software.classification
REFMAC (5.8.0135)
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}
76.128 109.609 113.138 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.54000 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 24.810 25.000 2.220
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.140 4.600 2.140
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.061 0.055 0.128
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.066 0.060 0.138
Rpim 
_reflns.pdbx_Rpim_I_all _reflns_shell.pdbx_Rpim_I_all
 0.025 0.023 0.052
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 53069 - 5233
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 27.40 - 12.40
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.9 100.0 100.0
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 7.0 6.8 7.0
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.998 0.996 0.992

Refinement
PDB entry ID
_entry.id
5Y1Q
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2017-07-21
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
24.8 - 2.140 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1647 / 0.2190
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
4X2U