9IMS
Crystal structure of C45 isoprenyl diphosphate synthase Rv0562 variant D98R/D223R from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | LIQUID ANODE |
| Source details | BRUKER METALJET |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-09-18 |
| Detector | Bruker PHOTON III |
| Wavelength(s) | 1.34138 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.738, 108.815, 56.062 |
| Unit cell angles | 90.00, 95.41, 90.00 |
Refinement procedure
| Resolution | 27.270 - 2.270 |
| R-factor | 0.2008 |
| Rwork | 0.197 |
| R-free | 0.26960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.881 |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.960 | 2.310 |
| High resolution limit [Å] | 2.270 | 2.270 |
| Rmerge | 0.075 | 0.330 |
| Number of reflections | 30511 | 1508 |
| <I/σ(I)> | 10.72 | 2.96 |
| Completeness [%] | 99.0 | 95.6 |
| Redundancy | 3.99 | 3.11 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 12% PEG 6000, 0.1 M MES, pH 6.0, 2 M LiCl |
