4ZGB
Structure of untreated lipase from Thermomyces lanuginosa at 2.3 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2011-11-20 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 61 |
| Unit cell lengths | 140.131, 140.131, 80.504 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.460 - 2.300 |
| R-factor | 0.18207 |
| Rwork | 0.181 |
| R-free | 0.20644 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ea6 |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.230 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.8.0107) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.230 | |
| Number of reflections | 37653 | |
| <I/σ(I)> | 4 | 0.26 |
| Completeness [%] | 98.8 | 90 |
| Redundancy | 4.3 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1M HEPES, O.1M Nacl, 1.6M Ammonium sulphate |
