Data quality metrics extracted from 3emp.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 3EMP 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
ROTATING ANODE
Source details
_diffrn_source.type
RIGAKU
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
IMAGE PLATE
Collection date
_diffrn_detector.pdbx_collection_date
2006-02-17
Detector
_diffrn_detector.type
RIGAKU RAXIS IV
Software
Data reduction
_software.classification
DENZO (Zbyszek Otwinowski; hkl@hkl-xray.com)
Data scaling
_software.classification
SCALEPACK (Zbyszek Otwinowski; hkl@hkl-xray.com)
Phasing #1
_software.classification
AMoRE (Jorge Navaza; ccp4@ccp4.ac.uk)
Phasing #2
_software.classification
DM (Kevin Cowtan; kowtan@ysbl.york.ac.uk)
Refinement
_software.classification
REFMAC (Garib N. Murshudov; garib@ysbl.york.ac.uk)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 31 2 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
137.315 137.315 145.805 90.0 90.0 120.0
Wavelength
_diffrn_radiation_wavelength.wavelength
1.54200 Å

Data quality metricsOverall
Low resolution limit [Å]
_reflns.d_resolution_low
100.000
High resolution limit [Å]
_reflns.d_resolution_high
4.000
  Rmerge -
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique
_reflns.number_obs
13761
  <I/σ(I)> -
Completeness [%]
_reflns.percent_possible_obs
98.4
  Multiplicity -
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
3EMP
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2008-09-24
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
17.1 - 4.000 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.3010 / 0.3090
Structure solution method
_refine.pdbx_method_to_determine_struct
MOLECULAR REPLACEMENT
Starting model (for MR)
_refine.pdbx_starting_model
PDB entry 1YF1