Data quality metrics extracted from 1flg.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 1FLG at RCSB, PDBe, PDBj

Experiment
Method
_exptl.method
X-RAY DIFFRACTION
Experimental protocol
_diffrn_radiation.pdbx_diffrn_protocol
SINGLE WAVELENGTH
Source type
_diffrn_source.source
SYNCHROTRON
Source details
_diffrn_source.type
EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
EMBL/DESY, HAMBURG
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X31
Temperature [K]
_diffrn.ambient_temp
293.0
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
1989-06-29
Detector
_diffrn_detector.type
MARRESEARCH
Software
Data reduction #1
_software.classification
MOSFLM
Data reduction #2
_software.classification
ROTAVATA
Data scaling #1
_software.classification
CCP4 (AGROVATA
Data scaling #2
_software.classification
ROTAVATA
Phasing
_software.classification
AMoRE
Refinement
_software.classification
REFMAC
General information
Spacegroup name
_symmetry.space_group_name_H-M
H 3
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
159.40 159.40 130.95 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å]
_reflns.d_resolution_low _reflns_shell.d_res_low
25.700 2.700
High resolution limit [Å]
_reflns.d_resolution_high _reflns_shell.d_res_high
2.520 2.600
Rmerge
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
0.120 0.330
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique
_reflns.number_obs
41300 -
<I/σ(I)>
_reflns.pdbx_netI_over_sigmaI
15.00 -
Completeness [%]
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
94.2 98.8
Multiplicity
_reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy
2.7 2.7
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1FLG
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2000-08-14
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
12.5 - 2.600 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.1920 / 0.2740