Data quality metrics extracted from 1t27.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 1T27 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
NSLS BEAMLINE X12C
Synchrotron site
_diffrn_source.pdbx_synchrotron_site
NSLS
Beamline
_diffrn_source.pdbx_synchrotron_beamline
X12C
Temperature [K]
_diffrn.ambient_temp
100
Detector technology
_diffrn_detector.detector
CCD
Collection date
_diffrn_detector.pdbx_collection_date
1999-11-18
Detector
_diffrn_detector.type
BRANDEIS - B4
Wavelength(s) [Å]
_diffrn_source.pdbx_wavelength_list
0.9791, 0.9794, 0.9500
Software
Data reduction
_software.classification
DENZO
Data scaling
_software.classification
SCALEPACK
Phasing
_software.classification
SHARP
Refinement
_software.classification
CNS (1.1)
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}
43.914 73.773 48.185 90.00 114.73 90.00
Wavelength
_diffrn_radiation_wavelength.wavelength
0.979100.979400.95000 Å

Data quality metricsOverallOuterShell
Low resolution limit [Å] 
_reflns.d_resolution_low _reflns_shell.d_res_low
 50.000 50.000
High resolution limit [Å] 
_reflns.d_resolution_high _reflns_shell.d_res_high
 2.200 2.200
Rmerge 
_reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs
 0.045 0.081
  Rmeas - -
  Rpim - -
  Total number of observations - -
Total number unique 
_reflns.number_obs
 38629 -
<I/σ(I)> 
_reflns.pdbx_netI_over_sigmaI
 20.20 -
Completeness [%] 
_reflns.percent_possible_obs _reflns_shell.percent_possible_all
 90.1 67.2
  Multiplicity - -
  CC(1/2) - -

Refinement
PDB entry ID
_entry.id
1T27
Deposition date
_pdbx_database_status.recvd_initial_deposition_date
2004-04-20
Resolution
_refine.ls_d_res_low _refine.ls_d_res_high
19.9 - 2.200 Å
Rwork/Rfree
_refine.ls_R_factor_R_work _refine.ls_R_factor_R_free
0.2050 / 0.2500
Structure solution method
_refine.pdbx_method_to_determine_struct
MAD