| 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 | BESSY BEAMLINE 14.1 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | BESSY |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 14.1 |
Temperature [K] _diffrn.ambient_temp | 100 |
Collection date _diffrn_detector.pdbx_collection_date | 2006-08-02 |
Wavelength(s) [Å] _diffrn_source.pdbx_wavelength_list | 0.953730 |
| Software | |
Data scaling _software.classification | XSCALE (Wolfgang Kabsch) |
Phasing _software.classification | REFMAC |
Refinement #1 _software.classification | BUSTER-TNT (BUSTER 2.9.7; Gerard Bricogne; buster-develop@GlobalPhasing.com) |
Refinement #2 _software.classification | BUSTER (2.9.7) |
| 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} | 56.927 153.385 74.179 90.00 93.46 90.00 |
Wavelength _diffrn_radiation_wavelength.wavelength | 0.95373 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 74.120 | 74.120 | 2.820 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 2.720 | 12.750 | 2.720 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.119 | 0.029 | 0.345 |
| Rmeas | - | - | - |
| Rpim | - | - | - |
Total number of observations _reflns_shell.number_measured_obs | - | 1245 | 13438 |
Total number unique _reflns.number_obs _reflns_shell.number_unique_obs | 34037 | 344 | 3472 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 11.26 | 34.96 | 4.20 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 99.8 | 98.3 | 99.6 |
| Multiplicity | - | - | - |
| CC(1/2) | - | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 3QQP |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2011-02-16 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 36.7 - 2.720 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.1644 / 0.2337 |
Structure solution method _refine.pdbx_method_to_determine_struct | FOURIER SYNTHESIS |