8PXL
Structure of NADH-DEPENDENT FERREDOXIN REDUCTASE, BPHA4, solved at wavelength 1.37 A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I23 |
| Synchrotron site | Diamond |
| Beamline | I23 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2017-12-08 |
| Detector | DECTRIS PILATUS 12M |
| Wavelength(s) | 1.378 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 98.243, 98.243, 170.476 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 85.080 - 1.600 |
| R-factor | 0.17865 |
| Rwork | 0.177 |
| R-free | 0.20377 |
| Structure solution method | SAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.181 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | HKL2Map |
| Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.080 | 1.657 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.066 | |
| Rmeas | 0.068 | |
| Rpim | 0.016 | |
| Number of reflections | 63940 | 6081 |
| <I/σ(I)> | 23.51 | 0.76 |
| Completeness [%] | 98.9 | 95.69 |
| Redundancy | 18 | 16.1 |
| CC(1/2) | 1.000 | 0.467 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | Sodium formate Acetate buffer, pH 4.6 |
