3BV0
Crystal Structure of PLP Bound 7,8-Diaminopelargonic Acid Synthase in Mycobacterium Tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | OTHER |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.541 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.047, 66.470, 203.377 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.000 - 2.210 |
| R-factor | 0.18953 |
| Rwork | 0.187 |
| R-free | 0.23814 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qj5 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.181 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 2.330 |
| High resolution limit [Å] | 2.210 | 2.210 |
| Rmerge | 0.073 | 0.310 |
| Number of reflections | 40606 | |
| <I/σ(I)> | 21.3 | 3.5 |
| Completeness [%] | 92.9 | 78.4 |
| Redundancy | 6.2 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 291 | PEG 8000, 0.1M Tris buffer, 0.1M MgCl2, pH 7.0, VAPOR DIFFUSION, temperature 291K |
