6RUJ
Factor inhibiting HIF-1 alpha in complex with consensus ankyrin repeat domain-(d)3-hydroxy-Leu peptide
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 | 2019-05-20 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97942 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 86.401, 86.401, 147.263 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.042 - 2.420 |
R-factor | 0.2112 |
Rwork | 0.209 |
R-free | 0.25700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1h2k |
RMSD bond length | 0.013 |
RMSD bond angle | 1.236 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 73.630 | 2.460 |
High resolution limit [Å] | 2.420 | 2.420 |
Rmerge | 0.148 | 2.367 |
Rmeas | 0.154 | 2.461 |
Rpim | 0.668 | |
Number of reflections | 22013 | 1051 |
<I/σ(I)> | 10.6 | 1 |
Completeness [%] | 99.9 | 98.1 |
Redundancy | 12.8 | 13.4 |
CC(1/2) | 0.998 | 0.557 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 1.6M AMMONIUM SULPHATE, 6% PEG 400, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |