3C96
Crystal structure of the flavin-containing monooxygenase phzS from Pseudomonas aeruginosa. Northeast Structural Genomics Consortium target PaR240
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97905, 0.97935, 0.96785 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 64.147, 65.261, 88.579 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.650 - 1.900 |
| R-factor | 0.183 |
| Rwork | 0.183 |
| R-free | 0.19700 |
| Structure solution method | MAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SnB |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.059 | 0.127 |
| Number of reflections | 55567 | |
| <I/σ(I)> | 42.5 | 14.4 |
| Completeness [%] | 96.6 | 81.2 |
| Redundancy | 6.7 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH UNDER OIL | 4.6 | 291 | 26% PEG 4000, 0.17M Ammonium acetate, 0.085M Sodium acetate, 15% Glycerol, 3% Glucose pH 4.6, MICROBATCH UNDER OIL, temperature 291K |
