Data quality metrics extracted from 1de9.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 1DE9 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
SSRL BEAMLINE BL9-1
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
SSRL
Beamline
_diffrn_source.pdbx_synchrotron_beamline
BL9-1
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
1999-05-21
Detector
_diffrn_detector.type
MARRESEARCH
Software
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
AMoRE
Refinement
_software.classification
X-PLOR (3.851)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 21 21 21
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
90.06 98.35 101.05 90.0 90.0 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.98000 Å

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
20.000
High resolution limit [Å]
_reflns.d_resolution_high
3.000
Rmerge
_reflns.pdbx_Rmerge_I_obs
0.086
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique
_reflns.number_obs
17008
<I/σ(I)>
_reflns.pdbx_netI_over_sigmaI
8.60
Completeness [%]
_reflns.percent_possible_obs
91.0
Multiplicity
_reflns.pdbx_redundancy
2.5
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
1DE9
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
1999-11-13
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
0.1830 / 0.2740