7V6D
Structure of lipase B from Lasiodiplodia theobromae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-06-09 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.95373 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 65.428, 162.639, 166.674 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.700 - 2.500 |
R-factor | 0.1948 |
Rwork | 0.192 |
R-free | 0.24310 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6idy |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.1_4122) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.700 | 29.700 | 2.600 |
High resolution limit [Å] | 2.500 | 9.010 | 2.500 |
Rmerge | 0.191 | 0.048 | 1.202 |
Rmeas | 0.198 | 0.050 | 1.247 |
Rpim | 0.053 | 0.014 | 0.332 |
Total number of observations | 425607 | 9615 | 48517 |
Number of reflections | 31233 | 731 | 3467 |
<I/σ(I)> | 11.9 | 44.8 | 2.2 |
Completeness [%] | 99.9 | 97.5 | 100 |
Redundancy | 13.6 | 13.2 | 14 |
CC(1/2) | 0.998 | 0.999 | 0.854 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 60% MPD, 100 mM NaOAc, pH 4.6, 10 mM CaCl2 |