3N0S
Crystal structure of BA2930 mutant (H183A) in complex with AcCoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-19 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 72.036, 109.441, 74.048 |
| Unit cell angles | 90.00, 111.86, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.150 |
| R-factor | 0.17583 |
| Rwork | 0.173 |
| R-free | 0.22794 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3kzl |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.714 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.190 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.090 | 0.487 |
| Number of reflections | 57925 | |
| <I/σ(I)> | 16 | 1.9 |
| Completeness [%] | 99.1 | 95.9 |
| Redundancy | 3.3 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1M HEPES-Na, 17%w/v PEG 3350, 0.18Molal MgCl2, 1%w/v CHAPS, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
