8II0
FACTOR INHIBITING HIF-1 ALPHA in complex with (5-(3-(3-chlorophenyl)isoxazol-5-yl)-3-hydroxypicolinoyl)glycine
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 | 2023-01-28 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97629 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 86.615, 86.615, 147.097 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.310 - 2.040 |
R-factor | 0.2064 |
Rwork | 0.205 |
R-free | 0.23870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1h2k |
RMSD bond length | 0.002 |
RMSD bond angle | 0.535 |
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] | 61.250 | 2.080 |
High resolution limit [Å] | 2.040 | 2.040 |
Rmerge | 0.087 | 4.948 |
Number of reflections | 63379 | 1764 |
<I/σ(I)> | 19.4 | 0.3 |
Completeness [%] | 100.0 | 99 |
Redundancy | 26.7 | 27.7 |
CC(1/2) | 1.000 | 0.352 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 1.6 M AMMONIUM SULPHATE, 6% PEG 400, 0.1 M HEPES. |