6IDY
Crystal structure of Aspergillus fumigatus lipase B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-05-31 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97737 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 152.190, 152.190, 134.290 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.480 - 2.150 |
R-factor | 0.174 |
Rwork | 0.173 |
R-free | 0.19700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4k6g |
RMSD bond length | 0.008 |
RMSD bond angle | 0.970 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.799 | 2.280 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.150 | 0.808 |
Rmeas | 0.157 | 0.848 |
Number of reflections | 86274 | 13718 |
<I/σ(I)> | 14.59 | 3.32 |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 11.14 | 10.86 |
CC(1/2) | 0.998 | 0.856 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 1.7 M Ammonia Sulfate, 0.1 M Tris.Cl, pH 6.5 |