| 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 X4A |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | NSLS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | X4A |
Temperature [K] _diffrn.ambient_temp | 100.0 |
Collection date _diffrn_detector.pdbx_collection_date | 2004-03-30 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.978994,0.979232, 0.970227 |
| Software | |
Data reduction _software.classification | HKL |
Data scaling _software.classification | HKL |
Phasing _software.classification | SOLVE/RESOLVE |
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} | 63.83 96.52 139.95 90.00 96.82 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.978990.979230.97023 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 29.200 | 1.860 |
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 | 0.070 | 0.320 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs | 150099 | - |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 19.10 | 3.00 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 96.3 | 88.0 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 3.6 | 3.0 |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1W96 |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2004-10-06 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 29.2 - 1.800 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1950 / 0.2300 |
Structure solution method _refine.pdbx_method_to_determine_struct | MAD |