Data quality metrics extracted from 1hxd.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 1HXD 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 RU200
Detector technology
_diffrn_detector.detector
AREA DETECTOR
Collection date
_diffrn_detector.pdbx_collection_date
1999-09-02
Detector
_diffrn_detector.type
UCSD MARK II
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.5418
Software
Data reduction
_software.classification
SDMS
Data scaling
_software.classification
SDMS
Refinement
_software.classification
TNT
General information
Spacegroup name
_symmetry.space_group_name_H-M
C 2 2 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
104.9 108.9 143.2 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.54180 Å

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
13.000
High resolution limit [Å]
_reflns.d_resolution_high
2.400
Rmerge
_reflns.pdbx_Rmerge_I_obs
0.071
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique
_reflns.number_obs
26762
<I/σ(I)>
_reflns.pdbx_netI_over_sigmaI
9.00
Completeness [%]
_reflns.percent_possible_obs
83.0
  Multiplicity -
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
1HXD
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2001-01-12
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
13.0 - 2.400 Å
Rwork
_refine.ls_R_factor_R_work
0.1890
WARNING: no Rfree given (but Rwork)!?
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
PDB entry 1BIA