Data quality metrics extracted from 9n35.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 9N35 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
NSLS-II BEAMLINE 17-ID-2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
NSLS-II
Beamline
_diffrn_source.pdbx_synchrotron_beamline
17-ID-2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
PIXEL
Collection date
_diffrn_detector.pdbx_collection_date
2024-06-11
Detector
_diffrn_detector.type
DECTRIS EIGER X 16M
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.979330
Software
Data reduction
_software.classification
XDS (VERSION Jun 30, 2024 BUILT=20240723)
Data scaling
_software.classification
XSCALE (VERSION Jun 30, 2024 BUILT=20240723)
Phasing
_software.classification
SHELXT (VERSION 2018/2)
Refinement
_software.classification
REFMAC (5.8.0267)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
20.92 11.50 9.39 97.22 90.77 94.60
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97933 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 11.370 11.370 1.130
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.100 4.920 1.100
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.130 0.091 0.618
Rmeas 
_reflns.pdbx_Rrim_I_all _reflns_shell.pdbx_Rrim_I_all
 0.150 0.105 0.729
  Rpim - - -
  Total number of observations - - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_obs
 3263 38 182
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 6.46 - -
Completeness [%] 
_reflns.percent_possible_obs
 92.7 - -
Multiplicity 
_reflns.pdbx_redundancy
 4.2 - -
CC(1/2) 
_reflns.pdbx_CC_half _reflns_shell.pdbx_CC_half
 0.986 0.994 0.628

Refinement
PDB entry ID
_entry.id
9N35
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2025-01-29
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
11.4 - 1.100 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1633 / 0.1882
Structure solution method
_refine.pdbx_method_to_determine_struct
AB INITIO PHASING