2B81
Crystal Structure of the Luciferase-like Monooxygenase from Bacillus cereus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-12-04 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97929 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 138.466, 159.942, 172.914 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.810 - 2.500 |
R-factor | 0.18619 |
Rwork | 0.183 |
R-free | 0.21833 |
Structure solution method | SAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.364 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.810 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.140 | 0.766 |
Number of reflections | 131719 | |
<I/σ(I)> | 9.3 | 3.4 |
Completeness [%] | 99.0 | 100 |
Redundancy | 6.6 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 295 | MES, ammonium sulfate, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K |