Data quality metrics extracted from 2avn.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 2AVN 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
2005-06-14
Detector
_diffrn_detector.type
ADSC QUANTUM 315
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.979318, 0.918370
Software
Data reduction
_software.classification
MOSFLM
Data scaling #1
_software.classification
SCALA (Phil Evans; pre@mrc-lmb.cam.ac.uk)
Data scaling #2
_software.classification
CCP4 (SCALA)
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 64 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
130.475 130.475 192.926 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979150.979320.91837 Å

Data quality metricsOverallInnerShellOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 29.800 29.860 2.410
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.350 10.510 2.350
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.183 0.066 0.981
  Rmeas - - -
  Rpim - - -
Total number of observations 
_reflns_shell.number_measured_obs
 - 544 2601
Total number unique 
_reflns.number_obs
 40826 - -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs
 3.40 8.70 0.70
Completeness [%] 
_reflns.percent_possible_obs
 99.6 - -
Multiplicity 
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
 9.8 10.1 5.6
  CC(1/2) - - -

Refinement
PDB entry ID
_entry.id
2AVN
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2005-08-30
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
29.8 - 2.350 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1690 / 0.1990
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD