8H0B
Structure of the thermolabile hemolysin from Vibrio alginolyticus (in complex with oleic acid)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-10-06 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97852 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 65.813, 71.871, 83.101 |
Unit cell angles | 90.00, 101.46, 90.00 |
Refinement procedure
Resolution | 56.300 - 1.931 |
R-factor | 0.196 |
Rwork | 0.195 |
R-free | 0.22100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6jkz |
RMSD bond length | 0.010 |
RMSD bond angle | 0.970 |
Data reduction software | XDS (Jan 10, 2022 (BUILT 20220220)) |
Data scaling software | Aimless (0.5.29) |
Phasing software | PHASER (2.7.17) |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 56.301 | 1.964 |
High resolution limit [Å] | 1.931 | 1.931 |
Rmeas | 0.051 | 0.645 |
Rpim | 0.020 | 0.244 |
Number of reflections | 57066 | 2812 |
<I/σ(I)> | 20.2 | 2.5 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.7 | 6.8 |
CC(1/2) | 0.999 | 0.915 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | The crystal of ValTLH in complex with oleic acid was grown in a drop containing 1.0 ul of protein solution (5 mg/ml in the buffer 10 mM HEPES pH 7.5, 150 mM NaCl, 1 mM DTT, 300 mM NDSB201 with 1 mM oleoyl coenzyme A lithium salt) and 1.0 ul of reservoir solution (22% polyethylene glycol 3350, 0.15 M magnesium formate). |