6ZBN
HIF Prolyl Hydroxylase 2 (PHD2/EGLN1) in complex with tert-butyl 6-(5-hydroxy-4-(1H-1,2,3-triazol-1-yl)-1H-pyrazol-1-yl)nicotinate (IOX4)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-09-26 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 77.062, 75.472, 127.555 |
Unit cell angles | 90.00, 95.04, 90.00 |
Refinement procedure
Resolution | 19.970 - 2.010 |
R-factor | 0.2064 |
Rwork | 0.205 |
R-free | 0.22990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hqr |
Data reduction software | xia2 (0.5.900) |
Data scaling software | DIALS (1.14.11) |
Phasing software | PHASER (2.8.2) |
Refinement software | PHENIX (1.19.1-4122-000) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 76.760 | 76.820 | 2.040 |
High resolution limit [Å] | 2.010 | 5.450 | 2.010 |
Rmeas | 0.063 | 0.032 | 1.874 |
Rpim | 0.024 | 0.012 | 0.726 |
Total number of observations | 666214 | 35689 | 31841 |
Number of reflections | 97320 | 5029 | 4850 |
<I/σ(I)> | 13.3 | 43.7 | 1 |
Completeness [%] | 99.9 | 99.9 | 98.8 |
Redundancy | 6.8 | 7.1 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 0.15M Potassium thiocyanate pH 7, 20.5% PEG 3350, Sitting Drop (300 nL), protein-to-well ratio, 2:1, 298K |