9HBN
A. vinelandii nitrogenase MoFe protein Anc1b
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-02-17 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.8856 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 77.083, 128.984, 209.445 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 109.828 - 1.824 |
| Rwork | 0.206 |
| R-free | 0.26860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.698 |
| Data reduction software | autoPROC |
| Data scaling software | STARANISO |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 109.828 | 2.105 |
| High resolution limit [Å] | 1.824 | 1.824 |
| Rmerge | 1.419 | |
| Rpim | 0.068 | 0.401 |
| Number of reflections | 91363 | 4568 |
| <I/σ(I)> | 7.5 | |
| Completeness [%] | 94.4 | |
| Redundancy | 13.1 | |
| CC(1/2) | 0.997 | 0.727 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M MES/imidazole at pH 6.5, 12.5% of (w/v) of polyethylene glycol 1000, 3350 and (v/v) 2-methyl-2,4-pentandiol each and 0.02 M of 1,6-hexanediol, 1-butanol, 1,4-butanediol, (RS)-1,2-propanediol, 2-propanol, and 1,3-propanediol, each |
