4CYG
The structure of vanin-1: defining the link between metabolic disease, oxidative stress and inflammation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-11-29 |
Detector | ADSC CCD |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 120.093, 120.093, 221.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 105.620 - 2.300 |
R-factor | 0.18765 |
Rwork | 0.186 |
R-free | 0.21444 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4cyf |
RMSD bond length | 0.006 |
RMSD bond angle | 1.240 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.300 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.150 | 1.240 |
Number of reflections | 72390 | |
<I/σ(I)> | 15.6 | 2.6 |
Completeness [%] | 99.6 | 99.3 |
Redundancy | 14.9 | 15.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 281 | CRYSTALLIZATION CONDITIONS: PROTEIN AT 12 MG/ML IN 50 MM BIS-TRIS PH 6.5 WITH 50 MM NACL. RESERVOIR CONDITIONS WERE 21% PEG 1500 WITH 10% (V/V) MALATE-MES-TRIS BUFFER AT PH 6.3. DROPS WERE 200 NL PLUS 200 NL IN SITTING DROP PLATES AT 8C. |