1GT6
S146A mutant of Thermomyces (Humicola) lanuginosa lipase complex with oleic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF |
| Synchrotron site | ESRF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.91 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 117.101, 97.304, 55.508 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.200 |
| R-factor | 0.21564 |
| Rwork | 0.214 |
| R-free | 0.23900 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dt5 |
| RMSD bond length | 0.009 * |
| RMSD bond angle | 1.200 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.075 * | 0.440 * |
| Number of reflections | 33614 | |
| <I/σ(I)> | 9.3 | 2.5 |
| Completeness [%] | 97.8 | 96.2 * |
| Redundancy | 3.5 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | unknown * | 8 * | PH 8.5 TRIS BUFFER, 25 MM MGCL2, 25% W/V PEG 5K MME, 10 MM PROTEIN CONC 10-20 MG/ML IN 10 MM TRIS BUFFER PH 8.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | Tris-HCl | 0.1 (M) | pH8.0 |
| 2 | 1 | 1 | NaTDC | 10 (mM) | |
| 3 | 1 | 1 | PEG5000 MME | 25 (%(w/v)) | |
| 4 | 1 | 1 | 25 (mM) |
