Data quality metrics extracted from 3d01.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 3D01 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
APS BEAMLINE 19-ID
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
APS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
19-ID
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2006-12-04
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9794, 0.9796
Software
Data collection
_software.classification
SBC-Collect
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing
_software.classification
HKL-3000
Refinement
_software.classification
REFMAC (5.2.0019)
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}
93.623 93.600 93.628 68.20 67.87 68.14
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979400.97960 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 83.620 1.745
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 1.700 1.700
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.084 0.605
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 266266 21313
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 20.33 1.50
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 97.0 92.1
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 5.0 4.0
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
3D01
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2008-04-30
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
46.1 - 1.700 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1789 / 0.2141
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD