3HSS
A higher resolution 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 | 2008-11-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.95665 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 100.454, 100.454, 135.162 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.320 - 1.900 |
| R-factor | 0.194 |
| Rwork | 0.193 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.409 |
| 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 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.087 | 0.678 |
| Number of reflections | 54772 | |
| <I/σ(I)> | 52.964 | 6.1 |
| Completeness [%] | 99.0 | 98.2 |
| Redundancy | 29.1 | 25.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.92 | 291 | 95% ( 0.1M NaAcetate pH 4.92, 2% MDP, 15% ethylene glycol) with 5% 1.65M Malonic Acid Protein had PEP added to it as well. , VAPOR DIFFUSION, HANGING DROP, temperature 291K |
