2W6M
Crystal structure of Biotin carboxylase from E. coli in complex with amino-oxazole fragment series
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.242, 106.197, 122.277 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 80.060 - 2.000 |
| R-factor | 0.185 |
| Rwork | 0.183 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2j9g |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.995 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.080 | 0.500 |
| Number of reflections | 74778 | |
| <I/σ(I)> | 25.23 | 4.47 |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 6.82 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
