4LIP
PSEUDOMONAS LIPASE COMPLEXED WITH RC-(RP, SP)-DIBUTYLCARBAMOYLGLYCERO-3-O-BUTYLPHOSPHONATE
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 90 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-07 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.040, 46.360, 85.380 |
| Unit cell angles | 90.00, 116.53, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.750 |
| R-factor | 0.178 |
| Rwork | 0.178 |
| R-free | 0.20200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3lip |
| RMSD bond length | 0.005 |
| RMSD bond angle | 21.800 * |
| 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] | 30.000 | 1.830 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.031 * | 0.059 * |
| Total number of observations | 140279 * | |
| Number of reflections | 56937 | |
| <I/σ(I)> | 45.8 | 26.2 |
| Completeness [%] | 95.3 | 93.9 |
| Redundancy | 2.46 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 9 * | 12 * | 20 % MPD, 100 MM CACL2, 0.1 M TRIS/HCL, PH 8.5 |
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 | MPD | 20 (%) | |
| 4 | 1 | reservoir | 100 (mM) | ||
| 5 | 1 | reservoir | Tris-HCl | 100 (mM) |
