2W6P
Crystal structure of Biotin carboxylase from E. coli in complex with 5-Methyl-6-phenyl-quinazoline-2,4-diamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 83.986, 106.475, 121.978 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.850 |
R-factor | 0.188 |
Rwork | 0.187 |
R-free | 0.21600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2j9g |
RMSD bond length | 0.008 |
RMSD bond angle | 1.081 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.060 | 0.490 |
Number of reflections | 89788 | |
<I/σ(I)> | 24.17 | 2.71 |
Completeness [%] | 95.5 | 96.9 |
Redundancy | 4.23 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.1 M KCL AND 2-8% PEG-800 |