5VN0
Water-forming NADH oxidase from Lactobacillus brevis (LbNOX) bound to NADH.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-08-06 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97007 |
| Spacegroup name | P 1 |
| Unit cell lengths | 96.525, 107.511, 119.298 |
| Unit cell angles | 63.37, 90.04, 89.95 |
Refinement procedure
| Resolution | 42.948 - 2.001 |
| R-factor | 0.1818 |
| Rwork | 0.179 |
| R-free | 0.22480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5er0 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.837 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
| Rmerge | 0.104 | 0.031 | 0.735 |
| Rmeas | 0.121 | 0.036 | 0.857 |
| Rpim | 0.062 | 0.018 | 0.440 |
| Total number of observations | 1096258 | ||
| Number of reflections | 282997 | ||
| <I/σ(I)> | 6 | ||
| Completeness [%] | 98.1 | 99.6 | 96.8 |
| Redundancy | 3.9 | 4 | 3.7 |
| CC(1/2) | 0.999 | 0.817 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 294.15 | Crystalls were grown in 20% PEG 3350, 0.2M NH4Cl, soaked briefly for 1-3 min in the formulation with 20-30mM NADH and quickly frozen. |
