8H0A
Structure of the thermolabile hemolysin from Vibrio alginolyticus (in complex with lauric acid)
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 | 2020-07-18 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97915 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 65.407, 72.616, 82.994 |
Unit cell angles | 90.00, 102.38, 90.00 |
Refinement procedure
Resolution | 28.400 - 1.940 |
R-factor | 0.195 |
Rwork | 0.193 |
R-free | 0.23100 |
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 31, 2020, built on 20200417) |
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] | 63.887 | 1.974 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmeas | 0.071 | 0.759 |
Rpim | 0.027 | 0.287 |
Number of reflections | 55927 | 2776 |
<I/σ(I)> | 18.2 | 2.3 |
Completeness [%] | 99.3 | 98.4 |
Redundancy | 6.8 | 6.9 |
CC(1/2) | 0.999 | 0.921 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | The crystal of ValTLH in complex with lauric acid was grown in a drop containing 1.0 ul of protein solution (10 mg/ml in the buffer 10 mM HEPES pH 7.5, 150 mM NaCl, 1 mM DTT, 200 mM NDSB201 with 3 mM sodium laurate) and 1.0 ul of reservoir solution (17.5% polyethylene glycol 3350, 0.2 M magnesium formate). |