4N8S
Crystal Structure of the ternary complex of lipase from Thermomyces lanuginosa with Ethylacetoacetate and P-nitrobenzaldehyde 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 | 2013-06-17 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 61 |
| Unit cell lengths | 140.461, 140.461, 80.289 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.300 |
| R-factor | 0.22328 |
| Rwork | 0.221 |
| R-free | 0.26583 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4dyh |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.081 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 121.670 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 40215 | |
| <I/σ(I)> | 41.5 | 4 |
| Completeness [%] | 99.5 | 99.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.1M HEPES, 0.1M Nacl, 1.6M Ammonium sulphate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
