8ITT
Crystal structure of lysophosphatidylcholine in complex with human serum albumin and myristate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-07 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 95.262, 38.467, 182.455 |
| Unit cell angles | 90.00, 104.78, 90.00 |
Refinement procedure
| Resolution | 47.630 - 3.030 |
| R-factor | 0.261 |
| Rwork | 0.261 |
| R-free | 0.29100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.630 | 3.220 |
| High resolution limit [Å] | 3.030 | 3.030 |
| Rmerge | 0.154 | 0.304 |
| Number of reflections | 737154 | 1641 |
| <I/σ(I)> | 24.8 | |
| Completeness [%] | 98.9 | |
| Redundancy | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 30% (w/v) polyethylene glycol 3350 in 50 mM potassium phosphate, pH 7.5 |
