2W6N
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 | ASCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 84.140, 105.937, 122.454 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 80.060 - 1.870 |
R-factor | 0.177 |
Rwork | 0.175 |
R-free | 0.21700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2j9g |
RMSD bond length | 0.009 |
RMSD bond angle | 1.224 |
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 | 1.940 |
High resolution limit [Å] | 1.870 | 1.870 |
Rmerge | 0.050 | 0.320 |
Number of reflections | 86865 | |
<I/σ(I)> | 39.97 | 5.33 |
Completeness [%] | 95.2 | 68.2 |
Redundancy | 5.7 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.1 M KCL AND 2-8% PEG-800 |