Data quality metrics extracted from 6h1c.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 6H1C 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
ESRF BEAMLINE BM30A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ESRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BM30A
Temperature [K]
_diffrn.ambient_temp
80
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2016-07-21
Detector
_diffrn_detector.type
DECTRIS PILATUS3 R CdTe 300K-W
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.96, 1.29
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE
Phasing
_software.classification
SHELXS
Refinement
_software.classification
PHENIX (1.10.1_2155: ???)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 61 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
85.57 85.57 179.62 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.960001.29000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 46.120 2.278
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.199 2.199
  Rmerge - -
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 20008 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 7.61 -
Completeness [%] 
_reflns.percent_possible_obs
 99.7 -
Multiplicity 
_reflns.pdbx_redundancy
 3.0 -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
6H1C
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2018-07-11
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
46.1 - 2.340 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2009 / 0.2681
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
1MZB