3UC5
Phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis complexed with ATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-01 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.8 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 99.909, 99.909, 114.419 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 7.999 - 1.700 |
| R-factor | 0.179 |
| Rwork | 0.177 |
| R-free | 0.22190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rff |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.092 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.620 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.056 | 0.441 |
| Number of reflections | 27524 | |
| <I/σ(I)> | 68.312 | 2.509 |
| Completeness [%] | 93.9 | 97.1 |
| Redundancy | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | Counter diffusion, 12% MPD , EVAPORATION |
