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 |