Data quality metrics extracted from 1m4u.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 1M4U at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
MAD
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
SSRL BEAMLINE BL9-2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SSRL
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL9-2
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2001-04-15
Detector
_diffrn_detector.type
ADSC QUANTUM 4
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
1.04888, 0.91987, 0.91957, 0.88557
Software
Data collection
_software.classification
HKL-2000
Data reduction #1
_software.classification
TRUNCATE
Data reduction #2
_software.classification
HKL-2000
Data scaling
_software.classification
CCP4 (TRUNCATE)
Phasing
_software.classification
MLPHARE
Refinement
_software.classification
REFMAC (5.0)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 41 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
99.834 99.834 150.327 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.048880.919870.919570.88557 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 60.000 2.483
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.420 2.420
Rmerge 
_reflns.pdbx_Rsym_value
 0.054 -
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 28463 -
  <I/σ(I)> - -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 96.8 99.5
  Multiplicity - -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1M4U
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2002-07-03
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
60.0 - 2.420 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2408 / 0.2730
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD