| 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 | NSLS BEAMLINE X12B |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | NSLS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | X12B |
Temperature [K] _diffrn.ambient_temp | 100.0 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 1997-07-17 |
Detector _diffrn_detector.type | ADSC QUANTUM |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.9780 |
| Software | |
Data collection #1 _software.classification | ADS |
Data collection #2 _software.classification | ADSC |
Data scaling _software.classification | SCALEPACK |
Phasing _software.classification | AMoRE |
Refinement _software.classification | CNS (0.9) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 43 21 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 42.73 42.73 288.54 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.97800 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 50.000 | 2.100 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.070 | 2.070 |
Rmerge _reflns.pdbx_Rmerge_I_obs | 0.033 | - |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 14722 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 27.40 | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 83.4 | 29.7 |
Multiplicity _reflns.pdbx_redundancy | 4.5 | - |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1I4R |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2001-02-22 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 50.0 - 2.100 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2010 / 0.2430 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | 1SE2 |