Data quality metrics extracted from 3may.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 3MAY 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
ALS BEAMLINE 8.2.2
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ALS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
8.2.2
Collection date
_diffrn_detector.pdbx_collection_date
2002-06-15
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9792, 0.9795, 1.04
Software
Data collection
_software.classification
HKL-2000
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
MLPHARE
Refinement
_software.classification
REFMAC (5.5.0109)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 41
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
72.671 72.671 173.909 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979200.979501.04000 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 100.000
High resolution limit [Å] 
_reflns.d_resolution_high
 2.500
Rmerge 
_reflns.pdbx_Rmerge_I_obs
 0.075
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 31089
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 31.80
Completeness [%] 
_reflns.percent_possible_obs
 99.8
Multiplicity 
_reflns.pdbx_redundancy
 14.9
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
3MAY
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2010-03-24
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
72.7 - 2.500 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1947 / 0.2557
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD