8GKO
Crystal Structure Analysis of Aspergillus fumigatus alkaline protease
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.605, 70.765, 78.555 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.580 - 1.060 |
R-factor | 0.1412 |
Rwork | 0.140 |
R-free | 0.16000 |
Structure solution method | AB INITIO PHASING |
RMSD bond length | 0.009 |
RMSD bond angle | 1.384 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | Arcimboldo |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 52.577 | 35.382 | 1.120 |
High resolution limit [Å] | 1.060 | 3.350 | 1.060 |
Rmerge | 0.033 | 1.125 | |
Rmeas | 0.088 | 0.038 | 1.450 |
Rpim | 0.043 | 0.018 | 0.903 |
Total number of observations | 549701 | 22128 | 28789 |
Number of reflections | 142896 | 5144 | 14274 |
<I/σ(I)> | 8.6 | 33.6 | 0.7 |
Completeness [%] | 93.5 | 99.1 | 65.2 |
Redundancy | 3.8 | 4.3 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 289 | polyethyleneglycol 550 monomethylether, polyethyleneglycol 20,000, MES/Imidazole buffer |