2PZB
NAD+ Synthetase 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] | 93 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-06-24 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.419, 84.553, 245.385 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.100 - 1.900 |
| R-factor | 0.219 |
| Rwork | 0.219 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Swiss Model of B. anthracis NAD+ synthetase derived from PDB ENTRY 1EE1 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.100 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 131948 | |
| <I/σ(I)> | 14.8 | 3.3 |
| Completeness [%] | 95.0 | 90.5 |
| Redundancy | 4.24 | 3.22 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 10% PEG 8000, 0.505 M ammonium sulfate, 6% glycerol, 100 mM MgCl2, 0.05% n-octyl-BETA-D-glucopyranoside, 100 mM HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
