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 |