3TA6
Structure of Mycobacterium tuberculosis triosephosphate isomerase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-20 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.968 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 134.917, 52.589, 77.539 |
Unit cell angles | 90.00, 104.48, 90.00 |
Refinement procedure
Resolution | 42.772 - 1.410 |
R-factor | 0.132 |
Rwork | 0.131 |
R-free | 0.15480 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.171 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 75.070 | 1.430 |
High resolution limit [Å] | 1.410 | 1.410 |
Number of reflections | 100458 | |
Completeness [%] | 99.1 | 88.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | 16% PEG3350, 250 mM ammonium citrate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |