5GW8
Crystal structure of a putative DAG-like lipase (MgMDL2) from Malassezia globosa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-04-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.970, 82.320, 116.870 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 67.300 - 2.000 |
| R-factor | 0.18983 |
| Rwork | 0.188 |
| R-free | 0.22000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uue |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.605 |
| Data reduction software | Aimless |
| Data scaling software | Aimless (0.5.1) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 67.300 | 67.300 | 2.050 |
| High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
| Rmerge | 0.092 | 0.028 | 0.685 |
| Rmeas | 0.100 | 0.031 | 0.740 |
| Rpim | 0.038 | 0.013 | 0.279 |
| Total number of observations | 351167 | 3866 | 25642 |
| Number of reflections | 50908 | ||
| <I/σ(I)> | 13.3 | 30.8 | 3 |
| Completeness [%] | 100.0 | 98.2 | 99.9 |
| Redundancy | 6.9 | 5.9 | 6.9 |
| CC(1/2) | 0.999 | 0.999 | 0.912 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 293 | 8% (v/v) tacsimate (pH 6.0), 20% PEG 5000 |
