9IMQ
Crystal structure of a C45 isoprenyl diphosphate synthase, Rv0562 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 | 2021-04-09 |
| Detector | Bruker PHOTON III |
| Wavelength(s) | 1.34138 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.882, 90.376, 59.032 |
| Unit cell angles | 90.00, 101.21, 90.00 |
Refinement procedure
| Resolution | 26.920 - 2.540 |
| R-factor | 0.1921 |
| Rwork | 0.188 |
| R-free | 0.27580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.879 |
| 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 | 2.580 |
| High resolution limit [Å] | 2.540 | 2.540 |
| Rmerge | 0.078 | 0.327 |
| Number of reflections | 18703 | 873 |
| <I/σ(I)> | 9.11 | 3.18 |
| Completeness [%] | 99.6 | 99.1 |
| Redundancy | 3.33 | 3.05 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1 M HEPES 7.5 2% PEG 400 2 M (NH4)2SO4 |
