3BPK
Crystal structure of nitrilotriacetate monooxygenase component B 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 | 2005-10-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 76.807, 76.807, 295.788 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.700 - 1.560 |
| R-factor | 0.1549 |
| Rwork | 0.153 |
| R-free | 0.18660 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.409 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.700 | 1.600 |
| High resolution limit [Å] | 1.560 | 1.560 |
| Rmerge | 0.066 | 0.512 |
| Number of reflections | 72506 | |
| <I/σ(I)> | 18.3 | 2.26 |
| Completeness [%] | 97.2 | 95.2 |
| Redundancy | 11.4 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 294 | 2 M Ammonium sulfate, 0.1 M Cacodylate buffer, 0.2 M Sodium chloride, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
