7APP
Structure of Lipase TL from capillary grown crystal in the presence of agarose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-03-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 61 |
| Unit cell lengths | 137.851, 137.851, 79.942 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 66.420 - 1.700 |
| R-factor | 0.1284 |
| Rwork | 0.127 |
| R-free | 0.15440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6hw1 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.072 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 68.930 | 68.930 | 1.730 |
| High resolution limit [Å] | 1.700 | 9.330 | 1.700 |
| Rmerge | 0.153 | 0.090 | 0.859 |
| Rmeas | 0.157 | 0.092 | 0.886 |
| Rpim | 0.036 | 0.021 | 0.218 |
| Total number of observations | 1738317 | ||
| Number of reflections | 94343 | 614 | 4651 |
| <I/σ(I)> | 12.7 | ||
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 18.4 | 16.7 | 16.4 |
| CC(1/2) | 0.996 | 0.996 | 0.865 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | COUNTER-DIFFUSION | 7 | 293 | 5.0 M NaFormate, 0.1 M Tris HCl, agarose 0.2% (w/v) |
