2NYX
Crystal structure of RV1404 from Mycobacterium tuberculosis
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-04-12 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.262, 54.747, 227.505 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.800 - 2.300 |
R-factor | 0.231 |
Rwork | 0.229 |
R-free | 0.27300 |
Structure solution method | MAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.577 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 19.800 | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
Rmerge | 0.146 | 0.077 | 0.546 |
Number of reflections | 25743 | ||
<I/σ(I)> | 7 | ||
Completeness [%] | 87.8 | 100 | 38.5 |
Redundancy | 9.2 | 11.1 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 22.0% PEG 3350, 0.2 M Potassium Thiocyanate, 0.1M Tris-HCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 22.0% PEG 3350, 0.2 M Potassium Thiocyanate, 0.1M Tris-HCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 22.0% PEG 3350, 0.2 M Potassium Thiocyanate, 0.1M Tris-HCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |