5JWL
Factor Inhibiting HIF D201E in Complex with Zn, and Alpha-Ketoglutarate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-10-03 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 1.08 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 86.131, 86.131, 149.213 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.560 - 2.400 |
R-factor | 0.1839 |
Rwork | 0.180 |
R-free | 0.22590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3d8c |
RMSD bond length | 0.016 |
RMSD bond angle | 1.755 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.440 |
High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
Rmerge | 0.131 | 0.082 | |
Total number of observations | 201011 | ||
Number of reflections | 22314 | ||
<I/σ(I)> | 9.2 | ||
Completeness [%] | 98.2 | 81.4 | 100 |
Redundancy | 9 | 7.5 | 9.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1M Hepes, 1.6mM ammonium sulfate, 3% PEG 400 |