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 |