7WWH
Crystal structure of the Geobacillus thermoglucosidasius feruloyl esterase GthFAE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17B1 |
Synchrotron site | SSRF |
Beamline | BL17B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-05-24 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 46.038, 87.410, 69.456 |
Unit cell angles | 90.00, 95.97, 90.00 |
Refinement procedure
Resolution | 26.290 - 1.920 |
R-factor | 0.1758 |
Rwork | 0.174 |
R-free | 0.20340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3pf8 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.940 |
High resolution limit [Å] | 1.910 | 5.180 | 1.910 |
Rmerge | 0.073 | 0.038 | 0.505 |
Rmeas | 0.079 | 0.041 | 0.552 |
Rpim | 0.030 | 0.015 | 0.220 |
Total number of observations | 277606 | ||
Number of reflections | 41148 | 2134 | 1938 |
<I/σ(I)> | 5.6 | ||
Completeness [%] | 98.7 | 99.5 | 94.6 |
Redundancy | 6.7 | 6.6 | 6.2 |
CC(1/2) | 0.999 | 0.905 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 0.1M Tris-HCl pH 7.0, 20% PEG 1000 |