3E3U
Crystal structure of Mycobacterium tuberculosis peptide deformylase in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-03-23 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.870, 54.765, 40.215 |
| Unit cell angles | 90.00, 94.39, 90.00 |
Refinement procedure
| Resolution | 50.320 - 1.560 |
| R-factor | 0.173 |
| Rwork | 0.171 |
| R-free | 0.20300 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond angle | 1.795 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.320 | 1.620 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Rmerge | 0.062 | 0.475 |
| Number of reflections | 32726 | |
| <I/σ(I)> | 30.6 | 2.9 |
| Completeness [%] | 99.6 | 97.2 |
| Redundancy | 3.5 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 2.0 M Ammonium sulfate, Tris-HCl pH 7.5, 5mM Compound 16a, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
