6BKA
Crystal Structure of Nitronate Monooxygenase from Cyberlindnera saturnus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-04-27 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.820, 68.430, 58.366 |
| Unit cell angles | 90.00, 106.32, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.650 |
| R-factor | 0.14173 |
| Rwork | 0.140 |
| R-free | 0.17899 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4q4k |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.089 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.078 | 0.478 |
| Rpim | 0.037 | |
| Number of reflections | 39464 | 2967 |
| <I/σ(I)> | 18.3 | 2.6 |
| Completeness [%] | 96.0 | 72.6 |
| Redundancy | 5 | 3.5 |
| CC(1/2) | 0.782 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 293 | 21% PEG 3350, 70 mM Sodium Citrate at pH 4.0 and 100 mM Ammonium Acetate |
