5CE5
Probing the roles of two tryptophans surrounding the unique zinc coordination site in lipase family I.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-03-31 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 73.305, 128.180, 127.963 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.280 - 2.000 |
| R-factor | 0.1658 |
| Rwork | 0.164 |
| R-free | 0.20350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w22 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.022 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1796) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 40640 | |
| <I/σ(I)> | 13.4 | 2.125 |
| Completeness [%] | 98.4 | 93.4 |
| Redundancy | 6.8 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 290 | Sodium citrate, MPD, ammonium acetate |
