7EGV
Acetolactate Synthase from Trichoderma harzianum with inhibitor harzianic 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 | 2021-01-30 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97847 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 165.040, 79.910, 111.860 |
Unit cell angles | 90.00, 103.10, 90.00 |
Refinement procedure
Resolution | 45.620 - 2.540 |
R-factor | 0.1773 |
Rwork | 0.175 |
R-free | 0.22200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6dek |
RMSD bond length | 0.008 |
RMSD bond angle | 0.982 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.620 | 2.630 |
High resolution limit [Å] | 2.540 | 2.540 |
Rmerge | 0.138 | 0.704 |
Rmeas | 0.171 | 0.879 |
Rpim | 0.101 | 0.518 |
Number of reflections | 46941 | 4563 |
<I/σ(I)> | 10 | 2.2 |
Completeness [%] | 99.9 | 100 |
Redundancy | 5.2 | |
CC(1/2) | 0.990 | 0.754 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 289.15 | 10%PEG1000, 10%PEG3350, 12.5% v/v MPD, 0.03 M sodium nitrate, 0.03 M disodium hydrogen phosphate, 0.03 M ammonium sulfate, 0.1 M MES/imidazole pH 6.5. |