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 |