6H1H
Crystal structure of human Pirin in complex with compound 7 (PLX4720)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-12-02 |
Detector | DECTRIS PILATUS3 X 2M |
Wavelength(s) | 0.8726 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.300, 67.408, 107.681 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.000 - 1.540 |
R-factor | 0.16 |
Rwork | 0.159 |
R-free | 0.18300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5jct |
RMSD bond length | 0.010 |
RMSD bond angle | 1.050 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.300 | 1.570 |
High resolution limit [Å] | 1.540 | 1.540 |
Rmerge | 0.105 | 1.367 |
Number of reflections | 46420 | 2277 |
<I/σ(I)> | 10.1 | 1.3 |
Completeness [%] | 99.9 | 99.6 |
Redundancy | 6.5 | 6.4 |
CC(1/2) | 0.998 | 0.344 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 1 microliter of protein 50 mg/mL and 1 microliter of reservoir solution containing 0.1 M HEPES (pH 7.5), 8 % ethylene glycol, 20 % (w/v) PEG 8,000, placed over 200 microliters of reservoir solution |