3S4K
Structure of a putative esterase Rv1847/MT1895 from Mycobacterium tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-05-14 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.97 |
Spacegroup name | P 1 2 1 |
Unit cell lengths | 41.722, 50.642, 60.506 |
Unit cell angles | 90.00, 92.76, 90.00 |
Refinement procedure
Resolution | 38.820 - 1.700 |
R-factor | 0.1727 |
Rwork | 0.171 |
R-free | 0.19700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1q4t |
RMSD bond length | 0.012 |
RMSD bond angle | 1.357 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.730 |
High resolution limit [Å] | 1.700 | 4.610 | 1.700 |
Rmerge | 0.083 | 0.052 | 0.235 |
Number of reflections | 27452 | ||
<I/σ(I)> | 10.7 | ||
Completeness [%] | 98.9 | 99.5 | 86.7 |
Redundancy | 4.3 | 4.3 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 289 | 0.2M LiCl, 0.1M MES pH 6.0, 20% PEG6000. Cryo protection in 25% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 289K |