9FVV
Aspartyl/Asparaginyl beta-hydroxylase (AspH) in complex with Mn, 2OG, thiocyanate and Factor X peptide fragment (39mer-4Ser)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-20 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.920, 86.080, 123.530 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.280 - 1.600 |
| R-factor | 0.1679 |
| Rwork | 0.167 |
| R-free | 0.19120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.942 |
| Data reduction software | xia2 |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.300 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.061 | 1.248 |
| Number of reflections | 71102 | 3496 |
| <I/σ(I)> | 20.6 | 2.1 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 13.2 | 12.6 |
| CC(1/2) | 1.000 | 0.792 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 278 | 0.1 M bis tris propane pH 7.5, 0.2 M NaSCN, 20% PEG 3350 |
