4F4H
Crystal structure of a Glutamine dependent NAD+ synthetase from Burkholderia thailandensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-06 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.033200 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.090, 73.080, 116.890 |
| Unit cell angles | 90.00, 102.76, 90.00 |
Refinement procedure
| Resolution | 49.300 - 1.750 |
| R-factor | 0.154 |
| Rwork | 0.153 |
| R-free | 0.18000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3n05 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.434 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.300 | 1.800 | |
| High resolution limit [Å] | 1.750 | 7.830 | 1.750 |
| Rmerge | 0.059 | 0.021 | 0.518 |
| Number of reflections | 119307 | 1317 | 8781 |
| <I/σ(I)> | 18.48 | 49.8 | 3.4 |
| Completeness [%] | 99.8 | 92.7 | 99.9 |
| Redundancy | 5.74 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | Internal tracking number 232316c5. Morpheus well C5, 10% w/v PEG20K, 20% PEG MME 550, 0.03M NPS (Sodium nitrate, disodium hydrogen phosphate, ammonium sulfate ), 0.1M MOPS / HEPES-Na pH 7.5 ButhA.18002.a.A1.PS01197 20.0mg/ml., vapor diffusion, sitting drop, temperature 290K |
