| 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 | MPG/DESY, HAMBURG BEAMLINE BW6 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | MPG/DESY, HAMBURG |
Beamline _diffrn_source.pdbx_synchrotron_beamline | BW6 |
Temperature [K] _diffrn.ambient_temp | 100 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2004-07-23 |
Detector _diffrn_detector.type | MARRESEARCH |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 1.05 |
| Software | |
Data reduction _software.classification | HKL-2000 |
Data scaling _software.classification | SCALEPACK |
Phasing #1 _software.classification | MLPHARE |
Phasing #2 _software.classification | SHELXD |
Phasing #3 _software.classification | SIGMAA |
Phasing #4 _software.classification | DM |
Model building _software.classification | SHELXE |
Refinement _software.classification | CNS (1.0) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | H 3 2 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 216.123 216.123 196.092 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.05000 Å |
| Data quality metrics | Overall | OuterShell |
|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 20.000 | 2.840 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.800 | 2.800 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.071 | 0.230 |
| Rmeas | - | - |
| Rpim | - | - |
| Total number of observations | - | - |
Total number unique _reflns.number_obs _reflns_shell.number_unique_all | 43074 | 3116 |
<I/σ(I)> _reflns_shell.meanI_over_sigI_obs | - | 3.50 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 98.6 | 92.1 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 5.4 | 1.7 |
| CC(1/2) | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 1Z7L |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2005-03-25 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 10.0 - 2.800 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2770 / 0.3080 |
Structure solution method _refine.pdbx_method_to_determine_struct | MAD combine with SIR |