1KAQ
Structure of Bacillus subtilis Nicotinic Acid Mononucleotide Adenylyl Transferase
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2001-05-05 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9791, 0.9639 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.310, 108.784, 177.562 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 3.200 |
| Rwork | 0.279 |
| R-free | 0.29750 * |
| Structure solution method | Combined MAD and MR phases |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.913 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 3.310 |
| High resolution limit [Å] | 3.200 | 3.200 |
| Rmerge | 0.147 * | 0.289 |
| Total number of observations | 80499 * | |
| Number of reflections | 24599 | |
| <I/σ(I)> | 5.6 | |
| Completeness [%] | 96.5 | 84 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 18 * | PEG 3350, Magnesium Acetate, xylitol, pH 7.5, VAPOR DIFFUSION, HANGING DROP at 291K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 14 (mg/ml) | |
| 2 | 1 | drop | NaAD | 2 (mM) | |
| 3 | 1 | drop | HEPES | 50 (mM) | pH7.5 |
| 4 | 1 | drop | 50 (mM) | ||
| 5 | 1 | reservoir | PEG3350 | 20 (%) | |
| 6 | 1 | reservoir | magnesium acetate | 100 (mM) | |
| 7 | 1 | reservoir | xylitol | 30 (%(w/v)) |
