4EQY
Crystal structure of Acyl-[acyl-carrier-protein]--UDP-N-acetylglucosamine O-acyltransferase from Burkholderia thailandensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9774 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 109.440, 90.490, 109.520 |
| Unit cell angles | 90.00, 111.03, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.800 |
| R-factor | 0.1607 |
| Rwork | 0.159 |
| R-free | 0.18850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qiv |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.526 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.850 |
| High resolution limit [Å] | 1.800 | 8.050 | 1.800 |
| Rmerge | 0.051 | 0.018 | 0.472 |
| Number of reflections | 183552 | 2104 | 13526 |
| <I/σ(I)> | 18.49 | 51.94 | 2.91 |
| Completeness [%] | 99.4 | 95.9 | 99.1 |
| Redundancy | 3.7 | 3.53 | 3.76 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 290 | EBS ProPlex screen h7: 15% MPD, 2% PEG4000, 100 mM sodium acetate/HCl pH 5.0, ButhA.00428.a.A1.PS01225 at 32 mg/mL, VAPOR DIFFUSION, SITTING DROP, temperature 290K |
