3LV2
Crystal structure of Mycobacterium tuberculosis 7,8-diaminopelargonic acid synthase in complex with substrate analog sinefungin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.541 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.627, 83.430, 157.988 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.000 - 2.180 |
| R-factor | 0.18119 |
| Rwork | 0.179 |
| R-free | 0.23220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bv0 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.213 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.300 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmerge | 0.074 | 0.360 |
| Number of reflections | 43477 | |
| <I/σ(I)> | 33.4 | 7 |
| Completeness [%] | 98.7 | 95.7 |
| Redundancy | 12.5 | 12.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 291 | 20% PEGMME 5000, 0.1M bistris buffer, pH 7.5, VAPOR DIFFUSION, temperature 291K |
