1XBF
X-RAY STRUCTURE NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET CAR10 FROM C. ACETOBUTYLICUM
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-08-21 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97903 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.432, 87.463, 49.140 |
| Unit cell angles | 90.00, 116.65, 90.00 |
Refinement procedure
| Resolution | 19.630 - 2.000 |
| R-factor | 0.236 |
| Rwork | 0.203 |
| R-free | 0.24800 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 47396 | |
| <I/σ(I)> | 12.1 | 3.88 |
| Completeness [%] | 92.5 | 98.6 |
| Redundancy | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 1.6 M Ammonium Sulfate, 0.1 M MES, 10% Dioxane, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
