Data quality metrics extracted from 3hnm.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 3HNM 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
NSLS BEAMLINE X4A
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
NSLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X4A
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2009-04-16
Detector
_diffrn_detector.type
ADSC QUANTUM 4
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.97909, 0.97922, 0.96790
Software
Data reduction
_software.classification
HKL-2000
Data scaling
_software.classification
HKL-2000
Phasing #1
_software.classification
Auto-Rickshaw
Phasing #2
_software.classification
SnB
Refinement #1
_software.classification
CNS (1.2)
Refinement #2
_software.classification
REFMAC (Murshudov, G.N.; ccp4@dl.ac.uk)
General information
Spacegroup name
_symmetry.space_group_name_H-M
I 41 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
141.520 141.520 232.366 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979090.979220.96790 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 50.000
High resolution limit [Å] 
_reflns.d_resolution_high
 3.000
Rmerge 
_reflns.pdbx_Rmerge_I_obs
 0.101
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 90200
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 15.70
Completeness [%] 
_reflns.percent_possible_obs
 100.0
Multiplicity 
_reflns.pdbx_redundancy
 6.3
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
3HNM
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2009-05-31
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
20.0 - 3.000 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2347 / 0.2808
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD