3HQJ
Structure-function analysis of Mycobacterium tuberculosis acyl carrier protein synthase (AcpS).
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-09-05 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 2 3 |
| Unit cell lengths | 77.443, 77.443, 77.443 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.950 |
| R-factor | 0.211 |
| Rwork | 0.209 |
| R-free | 0.25167 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f7t |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.699 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 11568 | |
| Completeness [%] | 99.9 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 294 | 100mM MgCl2, 50mM Na cacodylate pH=6.5, and 25% polyethylene glycol 200, Microbatch under oil, temperature 294K |
