4WAB
Crystal structure of mPGES1 solved by native-SAD phasing
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-12-02 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 2.0664 |
Spacegroup name | H 3 2 |
Unit cell lengths | 86.720, 86.720, 180.360 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 43.360 - 2.704 |
R-factor | 0.1808 |
Rwork | 0.178 |
R-free | 0.24050 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.102 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.770 |
High resolution limit [Å] | 2.700 | 2.700 |
Number of reflections | 27480 | |
<I/σ(I)> | 31.07 | 3.72 |
Completeness [%] | 99.4 | 92 |
Redundancy | 58.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 6.7 | 293 | 8 %(V/V) 2-METHYL-2,4, -PENTANEDIOL (MPD), 0.4 M POTASSIUM NITRATE, 0.1 M POTASSIUM CITRATE, 0.1 M N-(CARBAMOYLMETHYL)IMINODIACETIC ACID (ADA) SODIUM PH 6.7. CRYSTALLIZED USING THE IN MESO (LIPIDIC CUBIC PHASE, LCP) METHOD AT 4 DEGREES CELCIUS WITH THE 8.8 MONOACYLGLYCEROL (8.8 MAG) DOPED WITH 2 MOL% OF DIOLEOYL PHOSPHATIDYLCHOLINE (DOPC) AS THE HOSTING LIPID. |