9HB9
A. vinelandii nitrogenase MoFe protein Anc1a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-02-17 |
| Detector | DECTRIS EIGER2 X CdTe 16M |
| Wavelength(s) | 0.8856 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 70.290, 138.615, 208.581 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.879 - 2.658 |
| Rwork | 0.169 |
| R-free | 0.22020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.267 |
| Data reduction software | autoPROC |
| Data scaling software | STARANISO |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.879 | 2.912 |
| High resolution limit [Å] | 2.638 | 2.658 |
| Rmerge | 0.368 | |
| Rpim | 0.106 | |
| Number of reflections | 46401 | 2321 |
| <I/σ(I)> | 7.1 | |
| Completeness [%] | 93.7 | 51.8 |
| Redundancy | 12.8 | |
| CC(1/2) | 0.989 | 0.425 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.2 M LiSO4 x 1 H2O, 0.1 M bis-Tris/HCl at pH 6.5, 25%(w/v) of polyethylene glycol 3350 |
