3SLB
Crystal structure of BA2930 in complex with AcCoA and cytosine
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 | 72.473, 110.630, 73.780 |
| Unit cell angles | 90.00, 112.24, 90.00 |
Refinement procedure
| Resolution | 23.990 - 2.000 |
| R-factor | 0.17712 |
| Rwork | 0.174 |
| R-free | 0.22957 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 3kzl |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.480 |
| 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 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.094 | 0.418 |
| Number of reflections | 70634 | |
| <I/σ(I)> | 15.7 | 2.6 |
| Completeness [%] | 97.2 | 99 |
| Redundancy | 3 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1M HEPES-Na, 0.18M MgCl2, 15% w/v PEG3350, 2% w/v CHAPS, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
