6OI8
Crystal Structure of Haemophilus Influenzae Biotin Carboxylase Complexed with 7-((1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-(2-chloro-6-(pyridin-3-yl)phenyl)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 64 |
| Unit cell lengths | 86.321, 86.321, 102.750 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 35.150 - 2.500 |
| R-factor | 0.18889 |
| Rwork | 0.186 |
| R-free | 0.25301 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rzq |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.388 |
| 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] | 35.150 | 2.620 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rpim | 0.039 | 0.488 |
| Number of reflections | 14331 | 1641 |
| <I/σ(I)> | 20.4 | 2.2 |
| Completeness [%] | 96.6 | 98.2 |
| Redundancy | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 20% PEG3350, 0.2M Na acetate |
