7YB9
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with L-2-hydroxyglutarate and factor X-derived peptide (39mer-4Ser)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-01-19 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97624 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.672, 91.895, 123.073 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 73.630 - 1.540 |
R-factor | 0.1857 |
Rwork | 0.185 |
R-free | 0.21470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5jtc |
RMSD bond length | 0.011 |
RMSD bond angle | 1.131 |
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] | 91.900 | 1.570 |
High resolution limit [Å] | 1.540 | 1.540 |
Rmerge | 0.075 | 3.633 |
Rmeas | 0.079 | 3.797 |
Rpim | 0.022 | 1.090 |
Number of reflections | 83496 | 3963 |
<I/σ(I)> | 12.1 | 0.2 |
Completeness [%] | 99.2 | 95.5 |
Redundancy | 13.2 | 11.8 |
CC(1/2) | 0.999 | 0.356 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.2 M lithium chloride, 20 % w/v Polyethylene glycol 6,000, 0.1 M Bis-Tris propane |