2J0W
Crystal structure of E. coli aspartokinase III in complex with aspartate and ADP (R-state)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-09-02 |
| Detector | ADSC CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 49.535, 213.347, 93.078 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.790 - 2.500 |
| R-factor | 0.235 |
| Rwork | 0.235 |
| R-free | 0.29300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2j0x |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.070 | 0.770 |
| Number of reflections | 17477 | |
| <I/σ(I)> | 37.1 | 2.5 |
| Completeness [%] | 99.4 | 99.8 |
| Redundancy | 11.7 | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.4 | 0.2M AMMONIUM NITRATE, 0.1M TRIS, PH 8.4, 12% PEG 3350 |
