Data quality metrics extracted from 1m5a.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 1M5A 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
SRS BEAMLINE PX9.6
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SRS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
PX9.6
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
1994-12-22
Detector
_diffrn_detector.type
MARRESEARCH
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.87
Software
Data collection
_software.classification
PXGEN
Data reduction #1
_software.classification
ROTAVATA
Data reduction #2
_software.classification
PXGEN
Data scaling #1
_software.classification
CCP4 (AGROVATA
Data scaling #2
_software.classification
ROTAVATA
Phasing
_software.classification
AMoRE
Refinement
_software.classification
PROLSQ
General information
Spacegroup name
_symmetry.space_group_name_H-M
H 3
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
80.75 80.75 33.63 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.488000.87000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 20.000 1.280
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.200 1.200
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.075 0.354
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 25345 -
  <I/σ(I)> - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 99.1 94.7
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 2.9 2.4
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1M5A
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2002-07-09
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 1.200 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1812 / 0.2412
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
PDB entry 4INS