Data quality metrics extracted from 1fnh.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 1FNH 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
ESRF BEAMLINE BM14
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ESRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BM14
Temperature [K]
_diffrn.ambient_temp
100.0
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
1997-11
Detector
_diffrn_detector.type
MARRESEARCH
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
.9787, .9788, .9115, .9796
Software
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK
Phasing #1
_software.classification
SHARP
Phasing #2
_software.classification
CCP4
Model building
_software.classification
CCP4
Refinement
_software.classification
CNS (0.4)
General information
Spacegroup name
_symmetry.space_group_name_H-M
I 2 2 2
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
68.58 86.29 142.80 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.978700.978800.911500.97960 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 15.000
High resolution limit [Å] 
_reflns.d_resolution_high
 3.500
Rmerge 
_reflns.pdbx_Rmerge_I_obs
 0.080
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 5479
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 14.00
Completeness [%] 
_reflns.percent_possible_obs
 100.0
Multiplicity 
_reflns.pdbx_redundancy
 4.0
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
1FNH
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
1999-01-28
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
15.0 - 2.800 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2160 / 0.2950
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD