6OI9
Crystal Structure of E. coli Biotin Carboxylase Complexed with 7-[3-(aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-07-23 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 84.352, 106.782, 122.345 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.250 - 2.060 |
| R-factor | 0.19594 |
| Rwork | 0.195 |
| R-free | 0.22292 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dv1 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.486 |
| Data reduction software | xia2 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.250 | 2.110 |
| High resolution limit [Å] | 2.060 | 2.060 |
| Rpim | 0.056 | 0.634 |
| Number of reflections | 68531 | 4530 |
| <I/σ(I)> | 12.8 | |
| Completeness [%] | 99.4 | 99 |
| Redundancy | 3.6 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1 M HEPES, 30% PEG1000 |
