3NBK
Phosphopantetheine Adenylyltransferase from Mycobacterium tuberculosis in complex with 4'-phosphopantetheine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2009-08-13 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 114.627, 114.627, 135.206 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 135.210 - 1.580 |
| R-factor | 0.18408 |
| Rwork | 0.183 |
| R-free | 0.19906 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tfu |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.241 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 135.210 | 1.610 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.094 | 0.666 |
| Number of reflections | 141259 | |
| <I/σ(I)> | 32.9 | 3.4 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 10.5 | 8.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 294 | 0.05 M Hepes pH 7 and 2.5 v/v % isopropanol, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
