3DV2
Crystal Structure of nicotinic acid mononucleotide adenylyltransferase from Bacillus anthracis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-12 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.073, 100.586, 73.068 |
| Unit cell angles | 90.00, 110.42, 90.00 |
Refinement procedure
| Resolution | 25.150 - 2.300 |
| R-factor | 0.227 |
| Rwork | 0.227 |
| R-free | 0.26400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kam |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.150 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.059 | 0.285 |
| Number of reflections | 37472 | |
| <I/σ(I)> | 10.5 | 3.2 |
| Completeness [%] | 97.5 | 88.9 |
| Redundancy | 3.7 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 2.1M ammonium sulfate, 0.1M HEPES, 2% PEG400, 10mM magnesium chloride, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
