1EE1
CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS COMPLEXED WITH ONE MOLECULE ATP, TWO MOLECULES DEAMIDO-NAD+ AND ONE MG2+ ION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-03-20 |
| Detector | RIGAKU RAXIS II |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.980, 86.690, 60.480 |
| Unit cell angles | 90.00, 111.18, 90.00 |
Refinement procedure
| Resolution | 6.000 - 2.060 |
| R-factor | 0.158 * |
| Rwork | 0.154 |
| R-free | 0.21900 |
| RMSD bond length | 0.013 * |
| RMSD bond angle | 2.200 * |
| Data scaling software | SCALEPACK |
| Refinement software | X-PLOR |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.130 |
| High resolution limit [Å] | 2.060 | 2.060 |
| Rmerge | 0.050 | 0.156 |
| Total number of observations | 136657 * | |
| Number of reflections | 30068 * | |
| <I/σ(I)> | 13.3 | |
| Completeness [%] | 95.4 * | 83 * |
| Redundancy | 2.9 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5.2 | 298 | PEG400, sodium acetate, magnesium chloride, adenosine triphosphate, deamido-NAD+, pH 5.2, VAPOR DIFFUSION, temperature 298.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | sodium acetate | 20 (mM) | |
| 2 | 1 | drop | 50 (mM) | ||
| 3 | 1 | drop | beta-mercaptoethanol | 2.5 (mM) | |
| 4 | 1 | drop | protein | 15 (mg/ml) | |
| 5 | 1 | reservoir | PEG400 | 21-23 (%(v/v)) | |
| 6 | 1 | reservoir | sodium acetate | 0.1 (M) | |
| 7 | 1 | reservoir | 50 (mM) | ||
| 8 | 1 | reservoir | NaAD | 5 (mM) | |
| 9 | 1 | reservoir | ATP | 0.5 (mM) |
