4BIO
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH 8-HYDROXYQUINOLINE-5- CARBOXYLIC ACID
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 | 2011-12-03 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 86.720, 86.720, 147.230 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.590 - 2.450 |
R-factor | 0.2009 |
Rwork | 0.201 |
R-free | 0.23430 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1h2k |
RMSD bond length | 0.011 |
RMSD bond angle | 1.390 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | CNS (1.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.590 | 2.580 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.090 | 0.800 |
Number of reflections | 21369 | |
<I/σ(I)> | 12.8 | 2.2 |
Completeness [%] | 99.3 | 100 |
Redundancy | 7.1 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 1.2M AMMONIUM SULPHATE, 3% PEG400, PEG400, 0.001M FECL2, 0.1M HEPES PH7.5, VAPOR DIFFUSION, SITTING DROP |