6YPV
Alpha-ketoglutarate-dependent dioxygenase AlkB in complex with Fe and AKG after oxygen exposure using FT-SSX methods
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2019-09-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.96863 |
Spacegroup name | P 1 |
Unit cell lengths | 37.037, 39.107, 40.860 |
Unit cell angles | 78.14, 76.04, 66.51 |
Refinement procedure
Resolution | 39.350 - 2.100 |
R-factor | 0.2225 |
Rwork | 0.219 |
R-free | 0.25050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jht |
RMSD bond length | 0.004 |
RMSD bond angle | 0.531 |
Data reduction software | DIALS (1.8) |
Data scaling software | DIALS (1.8) |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.350 | 2.136 |
High resolution limit [Å] | 2.100 | 2.100 |
Number of reflections | 11994 | 593 |
<I/σ(I)> | 48.4 | 8.795 |
Completeness [%] | 100.0 | |
Redundancy | 25.8 | |
CC(1/2) | 0.874 | 0.414 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 298 | 25% w/v PEG 3350, 5% v/v glycerol and 200 mM sodium ormate |