3PNB
Phosphopantetheine Adenylyltransferase from Mycobacterium tuberculosis in complex with coenzyme A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2009-10-21 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 114.459, 114.459, 134.470 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.110 |
| R-factor | 0.21624 |
| Rwork | 0.215 |
| R-free | 0.24839 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.003 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (CCP4) |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.150 |
| High resolution limit [Å] | 2.110 | 2.110 |
| Rmerge | 0.107 | 0.547 |
| Number of reflections | 59228 | |
| <I/σ(I)> | 25.96 | 3.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.7 | 9.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.1 M Tris base, pH 8, 0.15 M magnesium formate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
