4X96
Low resolution crystal structure of Lecithin:Cholesterol Acyltransferase (LCAT; residues 21-397)
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 | 2014-02-05 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97857 |
| Spacegroup name | H 3 |
| Unit cell lengths | 367.258, 367.258, 187.069 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 8.690 |
| R-factor | 0.2105 |
| Rwork | 0.210 |
| R-free | 0.22860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4x90 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.170 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 8.850 |
| High resolution limit [Å] | 8.690 | 20.800 | 8.700 |
| Rmerge | 0.189 | 0.093 | 0.529 |
| Rmeas | 0.210 | 0.109 | 0.592 |
| Rpim | 0.093 | 0.056 | 0.264 |
| Total number of observations | 37449 | ||
| Number of reflections | 7324 | ||
| <I/σ(I)> | 3.3 | ||
| Completeness [%] | 98.8 | 98.9 | 94.8 |
| Redundancy | 5.1 | 3.5 | 4.8 |
| CC(1/2) | 0.987 | 0.794 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 100 mM Na acetate pH 5.0, 13% isopropanol, and 200 mM CaCl2 |
