Data quality metrics extracted from 1yce.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 1YCE 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
ESRF BEAMLINE ID29
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
ESRF
Beamline
_diffrn_source.pdbx_synchrotron_beamline
ID29
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
2004-02-07
Detector
_diffrn_detector.type
ADSC QUANTUM 4
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9756
Software
Data scaling
_software.classification
XDS
Phasing
_software.classification
PHASER
Refinement
_software.classification
REFMAC (5.2.0005)
General information
Spacegroup name
_symmetry.space_group_name_H-M
P 1 21 1
Unit cell parameters
_cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma}
147.7 140.0 153.0 90.0 118.4 90.0
Wavelength
_diffrn_radiation_wavelength.wavelength
0.97560 Å

Data quality metricsOverall
Low resolution limit [Å] 
_reflns.d_resolution_low
 10.000
High resolution limit [Å] 
_reflns.d_resolution_high
 2.400
Rmerge 
_reflns.pdbx_Rmerge_I_obs
 0.183
  Rmeas -
  Rpim -
  Total number of observations -
Total number unique 
_reflns.number_obs
 198822
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 10.00
  Completeness [%] -
Multiplicity 
_reflns.pdbx_redundancy
 10.0
  CC(1/2) -

Refinement
PDB entry ID
_entry.id
1YCE
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2004-12-22
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
10.0 - 2.400 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2006 / 0.2460