2D1F
Structure of Mycobacterium tuberculosis threonine synthase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-08-03 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9393 |
Spacegroup name | P 61 |
Unit cell lengths | 55.964, 55.964, 368.378 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.500 |
R-factor | 0.19091 |
Rwork | 0.187 |
R-free | 0.25617 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.330 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 19700 | |
<I/σ(I)> | 13.9 | 2.2 |
Completeness [%] | 92.6 | 56.4 |
Redundancy | 4.2 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.9 | 295 | NaAc, NaCl, PEG 3350, pH 7.9, VAPOR DIFFUSION, SITTING DROP, temperature 295K |