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 |