| Experiment | |
|---|---|
Method _exptl.method | X-RAY DIFFRACTION |
Experimental protocol _diffrn_radiation.pdbx_diffrn_protocol | SINGLE WAVELENGTH |
Source type _diffrn_source.source | ROTATING ANODE |
Source details _diffrn_source.type | RIGAKU |
Temperature [K] _diffrn.ambient_temp | 93 |
Detector technology _diffrn_detector.detector | IMAGE PLATE |
Collection date _diffrn_detector.pdbx_collection_date | 2006-04-12 |
Detector _diffrn_detector.type | RIGAKU RAXIS |
| Software | |
Data collection _software.classification | CrystalClear |
Data reduction _software.classification | d*TREK |
Data scaling _software.classification | d*TREK (9.4SSI; Jan 10 2006; Pflugrath, J.W.; jwp@RigakuMSC.com) |
Phasing #1 _software.classification | SOLVE (2.10; 8-Jun-2005; Tom Terwilliger; terwilliger@LANL.gov) |
Phasing #2 _software.classification | RESOLVE (2.10; 09-Aug-2005; Terwilliger, T. C; terwilliger@LANL.gov) |
Refinement _software.classification | CNS (1.2; 1998; Axel T. Brunger; axel.brunger@yale.edu) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 21 21 21 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 54.29 77.79 77.81 90.0 90.0 90.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.540002.29000 Å |
| Data quality metrics | Overall | InnerShell | OuterShell |
|---|---|---|---|
Low resolution limit [Å] _reflns.d_resolution_low _reflns_shell.d_res_low | 25.630 | 25.630 | 1.970 |
High resolution limit [Å] _reflns.d_resolution_high _reflns_shell.d_res_high | 1.900 | 4.090 | 1.900 |
Rmerge _reflns.pdbx_Rmerge_I_obs _reflns_shell.Rmerge_I_obs | 0.063 | 0.030 | 0.401 |
| Rmeas | - | - | - |
| Rpim | - | - | - |
Total number of observations _reflns_shell.number_measured_all | - | 38682 | 35441 |
Total number unique _reflns.number_obs _reflns_shell.number_unique_all | 26616 | 2824 | 2603 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI _reflns_shell.meanI_over_sigI_obs | 20.40 | 66.80 | 4.60 |
Completeness [%] _reflns.percent_possible_obs _reflns_shell.percent_possible_all | 100.0 | 100.0 | 100.0 |
Multiplicity _reflns.pdbx_redundancy _reflns_shell.pdbx_redundancy | 13.8 | 13.3 | 13.6 |
| CC(1/2) | - | - | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 2PEX |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2007-04-03 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 25.6 - 1.900 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2360 / 0.2780 |
Structure solution method _refine.pdbx_method_to_determine_struct | SAD |