4QJK
Crystal structure of M. tuberculosis phosphopantetheinyl transferase PptT
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-04 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9794 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 99.860, 121.505, 48.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.230 - 1.590 |
| R-factor | 0.1714 |
| Rwork | 0.170 |
| R-free | 0.20420 |
| Structure solution method | SAD |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.395 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AutoSol |
| Refinement software | PHENIX (dev_1469) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 41.230 | 41.220 | 1.620 |
| High resolution limit [Å] | 1.540 | 4.870 | 1.540 |
| Rmerge | 0.058 | 2.134 | |
| Number of reflections | 44112 | ||
| <I/σ(I)> | 23.9 | 1.2 | |
| Completeness [%] | 99.5 | 98.6 | 97.6 |
| Redundancy | 9.2 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 277 | 0.1 M sodium acetate, 0.2 M lithium sulfate, 30% (w/v) PEG 8000, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
