7APN
Structure of Lipase TL from bulk agarose grown crystal
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 | 2015-03-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 61 |
| Unit cell lengths | 141.187, 141.187, 80.234 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 122.270 - 2.000 |
| R-factor | 0.2147 |
| Rwork | 0.213 |
| R-free | 0.25040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6hw1 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.539 |
| 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] | 122.270 | 122.270 | 2.050 |
| High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
| Rmerge | 0.162 | 0.085 | 0.968 |
| Rmeas | 0.176 | 0.092 | 1.042 |
| Rpim | 0.066 | 0.036 | 0.378 |
| Total number of observations | 425687 | 4586 | 33264 |
| Number of reflections | 61405 | 731 | 4571 |
| <I/σ(I)> | 8.2 | 19.4 | 1.9 |
| Completeness [%] | 99.8 | 99.5 | 100 |
| Redundancy | 6.9 | 6.3 | 7.3 |
| CC(1/2) | 0.991 | 0.991 | 0.660 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 7 | 293 | 0,1M KNa-phosphate, agarose 0,2% (w/v) |
