5ID2
Asymmetry in the active site of Mycobacterium tuberculosis AhpE upon exposure to Mycothiol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-23 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 42 |
| Unit cell lengths | 146.906, 146.906, 33.616 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.940 - 2.430 |
| R-factor | 0.18777 |
| Rwork | 0.187 |
| R-free | 0.20454 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xxu |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.145 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.520 |
| High resolution limit [Å] | 2.430 | 2.430 |
| Rmerge | 0.067 | 0.276 |
| Number of reflections | 27862 | |
| <I/σ(I)> | 14.5 | 2.9 |
| Completeness [%] | 99.6 | 97.3 |
| Redundancy | 4 | 3.9 |
| CC(1/2) | 0.997 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 291 | 1.8M sodium malonate pH 5.0, 0.1M sodium acetate pH 4.5, 5% Glycerol |
