7BMJ
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 5-fluoropyridine-2,4-dicarboxylic acid, and factor X substrate peptide fragment (39mer-4Ser)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-09-07 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.99990 |
| Spacegroup name | P 1 |
| Unit cell lengths | 49.350, 59.480, 95.540 |
| Unit cell angles | 104.26, 91.51, 92.76 |
Refinement procedure
| Resolution | 46.260 - 1.750 |
| R-factor | 0.2224 |
| Rwork | 0.221 |
| R-free | 0.25120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jtc |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.673 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.420 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.122 | 2.408 |
| Number of reflections | 193533 | 5049 |
| <I/σ(I)> | 5.7 | 0.5 |
| Completeness [%] | 96.6 | 95.7 |
| Redundancy | 3.5 | 3.6 |
| CC(1/2) | 0.990 | 0.290 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 200 mM sodium nitrate, 20% w/v PEG 3350, 1 mM manganese chloride, 18 mg/ml protein |
