3NBA
Phosphopantetheine Adenylyltranferase from Mycobacterium tuberculosis in complex with adenosine-5'-[(alpha,beta)-methyleno]triphosphate (AMPCPP)
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 | 2009-10-29 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 115.118, 115.118, 133.913 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.680 |
| R-factor | 0.20174 |
| Rwork | 0.199 |
| R-free | 0.25553 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.582 |
| 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] | 50.000 | 2.730 |
| High resolution limit [Å] | 2.680 | 2.680 |
| Rmerge | 0.110 | 0.452 |
| Number of reflections | 29245 | |
| <I/σ(I)> | 18.6 | 2.59 |
| Completeness [%] | 99.6 | 95.5 |
| Redundancy | 7.1 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 294 | 38 v/v % PEG 200 and 0.1 M Hepes pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
