1K8Q
CRYSTAL STRUCTURE OF DOG GASTRIC LIPASE IN COMPLEX WITH A PHOSPHONATE INHIBITOR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-07-27 |
Detector | MARRESEARCH |
Wavelength(s) | 0.979 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 61.209, 164.498, 177.156 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 2.700 |
R-factor | 0.192 * |
Rwork | 0.197 |
R-free | 0.25800 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hlg |
RMSD bond length | 0.009 * |
RMSD bond angle | 1.500 * |
Data reduction software | DENZO |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.750 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.058 | 0.212 * |
Number of reflections | 24343 | |
Completeness [%] | 97.9 | 97.5 * |
Redundancy | 3.0 * | 2.2 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 30 % PEGMME 2000, 0.1 M sodium acetate and 0.2 M ammonium sulfate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG2000 MME | 30 (%) | |
2 | 1 | reservoir | sodium acetate | 0.1 (M) | |
3 | 1 | reservoir | ammonium sulfate | 0.2 (M) | pH4.6 |
4 | 1 | drop | protein | 5 (mg/ml) |