| 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 | APS BEAMLINE 5ID-B |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | APS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 5ID-B |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 1997-11-01 |
| Software | |
Data reduction _software.classification | DENZO |
Data scaling _software.classification | CCP4 (SCALA) |
Phasing #1 _software.classification | AMoRE |
Phasing #2 _software.classification | X-PLOR |
Model building _software.classification | X-PLOR |
Refinement #1 _software.classification | CNS (0.9) |
Refinement #2 _software.classification | REFMAC |
Refinement #3 _software.classification | X-PLOR |
| 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} | 36.82 146.55 64.57 90.00 106.48 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.00380 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 50.000 | 1.850 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.800 | 1.800 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.069 | 0.255 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 54367 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 7.50 | - |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 89.9 | 76.5 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 4.4 | 2.8 |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1CY9 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 1999-08-31 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 27.5 - 1.800 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2050 / 0.2420 |