Data quality metrics extracted from 2hag.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 2HAG 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 BL11-1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SSRL
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL11-1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2006-04-24
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.979291, 0.918370, 0.978940
Software
Data reduction
_software.classification
XDS
Data scaling
_software.classification
XSCALE (Wolfgang Kabsch)
Phasing #1
_software.classification
SOLVE
Phasing #2
_software.classification
RESOLVE
Model building
_software.classification
MolProbity (3beta29; D.C. & J.S. Richardson lab; molprobity@kinemage.biochem.duke.edu)
Refinement
_software.classification
REFMAC (5.2.0005; Murshudov, G.N.; ccp4@dl.ac.uk)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 43 21 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
94.31 94.31 113.68 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979290.918370.97894 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 29.540 29.540 2.850
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.750 4.690 2.750
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.107 0.057 0.835
  Rmeas - - -
  Rpim - - -
Total number of observations 
_reflns_shell.number_measured_obs
 - 9792 8805
Total number unique 
_reflns.number_obs _reflns_shell.number_unique_all
 13932 2569 2297
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 10.85 19.10 1.70
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 95.4 99.6 86.7
  Multiplicity - - -
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
2HAG
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2006-06-12
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
29.5 - 2.750 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1910 / 0.2290
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD