3SLF
Crystal structure of BA2930 in complex with AcCoA and uracil
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-19 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.9787 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.716, 109.996, 133.072 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.050 |
| R-factor | 0.19237 |
| Rwork | 0.190 |
| R-free | 0.24547 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3ijw |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.341 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.124 | 0.555 |
| Number of reflections | 34755 | |
| <I/σ(I)> | 19.4 | 2.1 |
| Completeness [%] | 99.4 | 93.8 |
| Redundancy | 6.5 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1M HEPES, 17% w/v PEG3350, 0.1M MgCl2, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
