5LZ8
Fragment-based inhibitors of Lipoprotein associated Phospholipase A2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-09-15 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 99.768, 91.276, 48.106 |
Unit cell angles | 90.00, 112.81, 90.00 |
Refinement procedure
Resolution | 42.380 - 2.110 |
R-factor | 0.19724 |
Rwork | 0.194 |
R-free | 0.25538 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.010 |
RMSD bond angle | 1.415 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | REFMAC (5.8.0135) |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.380 | 2.190 |
High resolution limit [Å] | 2.110 | 2.110 |
Rmerge | 0.095 | 0.558 |
Number of reflections | 22893 | |
<I/σ(I)> | 8.1 | 1.8 |
Completeness [%] | 98.0 | 92.1 |
Redundancy | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 293 | 28.0%w/v PEG 3350, 0.1M HEPES/NaOHpH=7.4, 1.3M NaCl |