6OJH
Crystal Structure of Haemophilus Influenzae Biotin Carboxylase Complexed with (R)-7-(3-aminopyrrolidin-1-yl)-6-(naphthalen-1-yl)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 | 85.688, 85.688, 104.830 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.690 - 2.050 |
| R-factor | 0.17795 |
| Rwork | 0.176 |
| R-free | 0.22244 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rzq |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.602 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.690 | 2.110 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rpim | 0.035 | 0.532 |
| Number of reflections | 27210 | 2045 |
| <I/σ(I)> | 18.7 | 1.8 |
| Completeness [%] | 99.3 | 97.9 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.2M Ca acetate, 14% PEG3350 |
