5AP9
Controlled lid-opening in Thermomyces lanuginosus lipase - a switch for activity and binding
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 110 |
| Collection date | 2015-07-25 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 90.478, 90.478, 160.455 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.020 - 1.800 |
| R-factor | 0.17272 |
| Rwork | 0.172 |
| R-free | 0.19693 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dt3 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.706 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.020 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.070 | 0.870 |
| Number of reflections | 59391 | |
| <I/σ(I)> | 20.9 | 3 |
| Completeness [%] | 99.9 | 97.7 |
| Redundancy | 13.1 | 12.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 50 % PEG400, 0.2 M LITHIUM SULFATE, 0.1 M NA-ACETATE PH 4.5, SITTING DROP, VAPOUR DIFFUSION |
