2W6M
Crystal structure of Biotin carboxylase from E. coli in complex with amino-oxazole fragment series
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 | 84.242, 106.197, 122.277 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 80.060 - 2.000 |
R-factor | 0.185 |
Rwork | 0.183 |
R-free | 0.20800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2j9g |
RMSD bond length | 0.007 |
RMSD bond angle | 0.995 |
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] | 20.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.080 | 0.500 |
Number of reflections | 74778 | |
<I/σ(I)> | 25.23 | 4.47 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 6.82 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |