5LIP
PSEUDOMONAS LIPASE COMPLEXED WITH RC-(RP, SP)-1,2-DIOCTYLCARBAMOYLGLYCERO-3-O-OCTYLPHOSPHONATE
Experimental procedure
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 1996-05 |
Detector | MARRESEARCH |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 88.730, 46.420, 83.950 |
Unit cell angles | 90.00, 121.23, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.900 |
R-factor | 0.206 |
Rwork | 0.206 |
R-free | 0.28500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lip |
RMSD bond length | 0.013 |
RMSD bond angle | 22.600 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | X-PLOR (3.843) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.950 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.092 * | 0.158 * |
Total number of observations | 22335 * | |
Number of reflections | 6515 | |
<I/σ(I)> | 7.1 | |
Completeness [%] | 98.5 | 87.2 |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 9 * | 12 * | 14 % ISOPROPANOL, 0.020 M CACL2, 0.1 M ACETATE, PH 4, pH 4.0 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 8 (mg/ml) | |
2 | 1 | drop | glycine | 20 (mM) | |
3 | 1 | reservoir | isopropanol | 14 (%) | |
4 | 1 | reservoir | 20 (mM) | ||
5 | 1 | reservoir | sodium acetate | 100 (mM) |