5TXF
Crystal structure of Lecithin:cholesterol acyltransferase (LCAT) in a closed conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-04-17 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97919 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 95.887, 123.532, 114.778 |
| Unit cell angles | 90.00, 96.19, 90.00 |
Refinement procedure
| Resolution | 20.000 - 3.100 |
| R-factor | 0.2504 |
| Rwork | 0.250 |
| R-free | 0.26651 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Homology Model based on LPLA2 (4x90) generated by MODELLER |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.318 |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.300 | 3.200 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.176 | 1.262 |
| Number of reflections | 48188 | |
| <I/σ(I)> | 6.6 | 1.1 |
| Completeness [%] | 99.6 | 98.3 |
| Redundancy | 4.1 | 4.2 |
| CC(1/2) | 0.990 | 0.577 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.2 M ammonium formate, 20% PEG 3350 | |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.2 M ammonium formate, 20% PEG 3350 |
