3MQH
crystal structure of the 3-N-acetyl transferase WlbB from Bordetella petrii in complex with CoA and UDP-3-amino-2-acetamido-2,3-dideoxy glucuronic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-14 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97921 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.466, 107.891, 91.269 |
| Unit cell angles | 90.00, 102.55, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.430 |
| R-factor | 0.17578 |
| Rwork | 0.174 |
| R-free | 0.20645 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3mqg |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.124 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.480 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Rmerge | 0.077 | 0.125 |
| Number of reflections | 213775 | |
| <I/σ(I)> | 28.3 | 6.6 |
| Completeness [%] | 90.0 | 76.1 |
| Redundancy | 2.9 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 16-20% PEG3400, 210 mM tetramethylammonium chloride, 100 mM HEPPS, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
