3S1T
Structure of the regulatory domain of aspartokinase (Rv3709c; AK-beta) in complex with threonine from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X12 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-29 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.700, 63.430, 108.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.630 |
| R-factor | 0.19318 |
| Rwork | 0.193 |
| R-free | 0.21143 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dtj |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.778 |
| Refinement software | REFMAC (5.6.0091) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 1.650 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Number of reflections | 47641 | |
| Completeness [%] | 99.0 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | ammonium sulphate, bis-tris, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
