3Q0G
Crystal Structure of the Mycobacterium tuberculosis Crotonase Bound to a Reaction Intermediate Derived from Crotonyl CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-06-23 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 101.640, 133.170, 133.690 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.870 - 2.380 |
| R-factor | 0.23588 |
| Rwork | 0.233 |
| R-free | 0.28783 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mj3 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.296 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 2.440 |
| High resolution limit [Å] | 2.380 | 6.440 | 2.380 |
| Rmerge | 0.100 | 0.041 | 0.489 |
| Number of reflections | 70756 | ||
| <I/σ(I)> | 7.8 | 44.15 | 3.41 |
| Completeness [%] | 98.3 | 95.6 | 97.6 |
| Redundancy | 3.9 | 4.3 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 20% PEG3350, 0.2 M LiCl, and 20% glycerol, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
