3HYS
Structure of Rv0554 from Mycobacterium tuberculosis complexed with Malonic Acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2008-11-20 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 100.435, 100.435, 135.064 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.300 |
| R-factor | 0.169 |
| Rwork | 0.166 |
| R-free | 0.22300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.026 |
| RMSD bond angle | 1.940 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.059 | 0.267 |
| Number of reflections | 31386 | |
| <I/σ(I)> | 35.603 | 7.6 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 8.1 | 7.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.92 | 291 | 95% (0.1M NaAcetate pH 4.92, 2% MPD, 15% Ethylene glycol) and 5% Malonic acid 1.65M, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
