8PXK
Structure of NADH-DEPENDENT FERREDOXIN REDUCTASE, BPHA4, solved at wavelength 5.76 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) | 5.767 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 98.186, 98.186, 170.292 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 85.030 - 3.770 |
| R-factor | 0.18562 |
| Rwork | 0.185 |
| R-free | 0.19074 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.431 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | HKL2Map |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.030 | 3.905 |
| High resolution limit [Å] | 3.770 | 3.770 |
| Rmerge | 0.145 | |
| Rmeas | 0.151 | |
| Rpim | 0.040 | |
| Number of reflections | 4614 | 373 |
| <I/σ(I)> | 21.38 | |
| Completeness [%] | 86.6 | |
| Redundancy | 11.9 | |
| CC(1/2) | 0.995 | 0.987 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | Sodium formate Acetate buffer, pH 4.6 |
