| 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 | ALS BEAMLINE 5.0.2 |
Synchrotron site _diffrn_source.pdbx_synchrotron_site | ALS |
Beamline _diffrn_source.pdbx_synchrotron_beamline | 5.0.2 |
Temperature [K] _diffrn.ambient_temp | 120.0 |
Detector technology _diffrn_detector.detector | CCD |
Collection date _diffrn_detector.pdbx_collection_date | 2002-10-11 |
Detector _diffrn_detector.type | ADSC QUANTUM 4 |
| Software | |
Data collection _software.classification | Blu-Ice |
Data scaling _software.classification | d*TREK (7.1SSI; May 1 2001; Pflugrath, J.W.; jwp@RigakuMSC.com) |
Phasing _software.classification | AMoRE |
Refinement #1 _software.classification | CNS (Axel T. Brunger; axel.brunger@yale.edu) |
Refinement #2 _software.classification | CNX (2002) |
| General information | |
Spacegroup name _symmetry.space_group_name_H-M | P 31 2 1 |
Unit cell parameters _cell.length_{a,b,c} _cell.angle_{alpha,beta,gamma} | 181.046 181.046 89.420 90.0 90.0 120.0 |
Wavelength _diffrn_radiation_wavelength.wavelength | 1.10000 Å |
| Data quality metrics | Overall |
|---|---|
Low resolution limit [Å] _reflns.d_resolution_low | 19.880 |
High resolution limit [Å] _reflns.d_resolution_high | 3.020 |
| Rmerge | - |
| Rmeas | - |
| Rpim | - |
| Total number of observations | - |
Total number unique _reflns.number_obs | 33360 |
<I/σ(I)> _reflns.pdbx_netI_over_sigmaI | 6.30 |
Completeness [%] _reflns.percent_possible_obs | 87.8 |
Multiplicity _reflns.pdbx_redundancy | 4.4 |
| CC(1/2) | - |
| Refinement | |
|---|---|
PDB entry ID _entry.id | 2ESM |
Deposition date _pdbx_database_status.recvd_initial_deposition_date | 2005-10-26 |
Resolution _refine.ls_d_res_low _refine.ls_d_res_high | 19.9 - 3.200 Å |
Rwork/Rfree _refine.ls_R_factor_R_work _refine.ls_R_factor_R_free | 0.2450 / 0.2690 |
Structure solution method _refine.pdbx_method_to_determine_struct | MOLECULAR REPLACEMENT |
Starting model (for MR) _refine.pdbx_starting_model | PDB ENTRY 1ATP |