8ITR
Crystal structure of lysophosphatidylcholine in complex with human serum albumin
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 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 184.729, 38.843, 95.186 |
| Unit cell angles | 90.00, 105.11, 90.00 |
Refinement procedure
| Resolution | 46.020 - 2.440 |
| R-factor | 0.255 |
| Rwork | 0.255 |
| R-free | 0.26700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.900 |
| 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] | 50.000 | 2.500 |
| High resolution limit [Å] | 2.440 | 2.440 |
| Rmerge | 0.059 | 0.251 |
| Number of reflections | 258740 | 1152 |
| <I/σ(I)> | 37.3 | |
| Completeness [%] | 98.5 | |
| Redundancy | 4.3 |
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 |
