1IH8
NH3-dependent NAD+ Synthetase from Bacillus subtilis Complexed with AMP-CPP and Mg2+ ions.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-06-27 |
| Detector | MACSCIENCE DIP100 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.599, 85.411, 60.253 |
| Unit cell angles | 90.00, 110.88, 90.00 |
Refinement procedure
| Resolution | 29.830 - 1.900 |
| R-factor | 0.167 |
| Rwork | 0.167 |
| R-free | 0.20500 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1nsy |
| RMSD bond length | 0.005 |
| RMSD bond angle | 20.100 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.048 | 0.154 |
| Total number of observations | 112884 * | |
| Number of reflections | 38796 | |
| <I/σ(I)> | 20.4 | 7.6 |
| Completeness [%] | 98.8 | 98.8 * |
| Redundancy | 2.9 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | used microseeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | HEPES-Na | 10 (mM) | |
| 2 | 1 | drop | protein | 20 (mg/ml) | |
| 3 | 1 | reservoir | PEG400 | 20-26 (%(v/v)) | |
| 4 | 1 | reservoir | HEPES-Na | 50 (mM) | |
| 5 | 1 | reservoir | 0.1 (M) | ||
| 6 | 1 | reservoir | AMP-CPP | 2 (mM) |
