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 |