5LZ2
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 | IMAGE PLATE |
Collection date | 2010-09-17 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 99.971, 90.649, 51.321 |
Unit cell angles | 90.00, 111.82, 90.00 |
Refinement procedure
Resolution | 32.420 - 2.100 |
R-factor | 0.17046 |
Rwork | 0.167 |
R-free | 0.22783 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.011 |
RMSD bond angle | 1.443 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.420 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.033 | 0.125 |
Number of reflections | 24963 | |
<I/σ(I)> | 21.5 | 8.3 |
Completeness [%] | 97.0 | 90 |
Redundancy | 2.4 |
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, |