5ZY8
Crystal structure of C terminal truncated HadBC (3R-Hydroxyacyl-ACP Dehydratase) complex from Mycobacterium tuberculosis
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 | 2018-02-16 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 119.417, 119.417, 99.177 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.544 - 2.899 |
| R-factor | 0.1877 |
| Rwork | 0.186 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rlj |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.234 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 103.418 | 19.544 | 3.060 |
| High resolution limit [Å] | 2.899 | 9.170 | 2.900 |
| Rmerge | 0.024 | 1.026 | |
| Rmeas | 0.152 | 0.025 | 1.061 |
| Rpim | 0.039 | 0.007 | 0.269 |
| Number of reflections | 18426 | 578 | 2644 |
| <I/σ(I)> | 21.7 | 25.1 | 0.8 |
| Completeness [%] | 99.6 | 90.3 | 99.7 |
| Redundancy | 15 | 12.7 | 15.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 298 | 2% v/v 1,4-dioxane, 0.1M Tris HCl, 15% PEG 3350 |
