3MQG
crystal structure of the 3-N-acetyl transferase WlbB from Bordetella petrii in complex with acetyl-CoA
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 | 2009-11-13 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97921 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.488, 107.824, 90.966 |
| Unit cell angles | 90.00, 102.49, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.430 |
| R-factor | 0.19183 |
| Rwork | 0.190 |
| R-free | 0.21714 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | In house low resolution model |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.180 |
| 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 | 0.070 | 0.141 |
| Number of reflections | 226783 | |
| <I/σ(I)> | 38.2 | 8.9 |
| Completeness [%] | 95.6 | 88.7 |
| Redundancy | 3.9 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 15-20% PEG3400, 210 mM tetramethyl ammonium chloride, 100 mM HEPPS, 10 mM UDP, 10 mM acetyl-CoA, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
