9IMR
Crystal structure of geranylgeranyl pyrophosphate synthase Rv0562 from Mycobacterium tuberculosis in complex with IPP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | LIQUID ANODE |
| Source details | BRUKER METALJET |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-08-19 |
| Detector | Bruker PHOTON III |
| Wavelength(s) | 1.34138 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.796, 115.643, 119.270 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.780 - 1.890 |
| R-factor | 0.14419 |
| Rwork | 0.142 |
| R-free | 0.19300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.647 |
| Data reduction software | SAINT |
| Data scaling software | SAINT |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.960 | 1.920 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.040 | 0.130 |
| Number of reflections | 54521 | 2344 |
| <I/σ(I)> | 30.7 | 6.75 |
| Completeness [%] | 99.1 | 95.2 |
| Redundancy | 7.04 | 3.66 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 298 | 30% PEG 6000, 0.6 M Bicine, pH 9.0 |
