8OIM
Crystal structure of the lipase SpL from Sphingomonas sp. HXN-200
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-08 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1.033210 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.812, 88.966, 65.627 |
Unit cell angles | 90.00, 96.41, 90.00 |
Refinement procedure
Resolution | 42.048 - 1.994 |
Rwork | 0.165 |
R-free | 0.20170 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 2.037 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.050 | 42.050 | 2.050 |
High resolution limit [Å] | 1.990 | 8.920 | 1.990 |
Rmerge | 0.071 | 0.053 | 0.281 |
Rmeas | 0.099 | 0.074 | 0.392 |
Rpim | 0.068 | 0.052 | 0.273 |
Number of reflections | 44854 | 549 | 3110 |
<I/σ(I)> | 9.5 | ||
Completeness [%] | 94.9 | ||
Redundancy | 3.4 | 3.3 | 3.4 |
CC(1/2) | 0.992 | 0.988 | 0.925 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | 5 mg/ml SPL, Index screen condition 78 (0.2 M Ammonium acetate, 0.1 M BIS-TRIS, 25% PEG 3350) |