2W6O
Crystal structure of Biotin carboxylase from E. coli in complex with 4-Amino-7,7-dimethyl-7,8-dihydro-quinazolinone fragment
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 | 68.629, 113.367, 121.737 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 2.500 |
R-factor | 0.234 |
Rwork | 0.230 |
R-free | 0.30800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2j9g |
RMSD bond length | 0.009 |
RMSD bond angle | 1.132 |
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 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.100 | 0.470 |
Number of reflections | 29998 | |
<I/σ(I)> | 14.45 | 2.93 |
Completeness [%] | 88.4 | 90 |
Redundancy | 4.61 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |