7BUK
T1 lipase mutant - 5M (D43E/T118N/E226D/E250L/N304E)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-06-19 |
| Detector | RIGAKU |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 117.592, 81.269, 99.522 |
| Unit cell angles | 90.00, 97.32, 90.00 |
Refinement procedure
| Resolution | 35.100 - 2.644 |
| R-factor | 0.188 |
| Rwork | 0.184 |
| R-free | 0.26200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dsn |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.587 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.700 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.056 | 0.129 |
| Number of reflections | 24822 | 38251 |
| <I/σ(I)> | 14 | |
| Completeness [%] | 90.9 | |
| Redundancy | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293.15 | 0.5 M sodium cacodylate trihydrate, 0.4 M sodium citrate tribasic pH 6.5, 0.2 M NaCl |
