2XLS
Joint-functions of protein residues and NADP(H) in oxygen-activation by flavin-containing monooxygenase: Asn78Lys mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 61 |
| Unit cell lengths | 219.785, 219.785, 131.226 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 95.170 - 3.000 |
| R-factor | 0.18314 |
| Rwork | 0.182 |
| R-free | 0.21055 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vq7 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.768 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.140 | 0.500 |
| Number of reflections | 72308 | |
| <I/σ(I)> | 9 | 3.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.5 | 277 | CRYSTALS WERE OBTAINED USING MICROBATCH TECHNIQUE UNDER 100% PARAFFIN OIL AT 4 C BY MIXING EQUAL VOLUMES OF 8 MG PROTEIN/ML IN 25 MM TRIS/HCL PH 8.0, 250 MM NACL, 1 MM NADP (OR ANALOGUE), AND 20% (W/V) PEG4000 IN 100 MM NA/HEPES PH 7.5 |
