3TZ6
Crystal structure of Aspartate semialdehyde dehydrogenase Complexed With inhibitor SMCS (CYS) And Phosphate From Mycobacterium tuberculosis H37Rv
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-03-14 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | F 4 3 2 |
| Unit cell lengths | 266.160, 266.160, 266.160 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.200 - 1.950 |
| R-factor | 0.19266 |
| Rwork | 0.192 |
| R-free | 0.21072 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3LLG |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.283 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.075 | 0.728 |
| Number of reflections | 58288 | |
| <I/σ(I)> | 19.59 | 2.21 |
| Completeness [%] | 99.4 | 99.5 |
| Redundancy | 5.7 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5 | 293 | 100MM CITRIC ACID, 1.6M AMMONIUM SULFATE, pH 5.0, VAPOR DIFFUSION, temperature 293K |
