1IFX
CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS COMPLEXED WITH TWO MOLECULES DEAMIDO-NAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-06-03 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.060, 86.090, 61.080 |
| Unit cell angles | 90.00, 111.18, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.250 |
| R-factor | 0.216 * |
| Rwork | 0.195 |
| R-free | 0.29700 |
| Starting model (for MR) | 1ee1 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.190 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | X-PLOR (3.851) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.330 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.080 | 0.318 |
| Total number of observations | 162585 * | |
| Number of reflections | 24270 | |
| <I/σ(I)> | 8.9 | 3.2 |
| Completeness [%] | 99.5 | 79.2 * |
| Redundancy | 3.6 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 298 | sodium acetate buffer, Magnesium chloride, PEG 400, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
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) |
