8B8E
Wild-type GH11 from Blastobotrys mokoenaii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX IV BEAMLINE BioMAX |
Synchrotron site | MAX IV |
Beamline | BioMAX |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-04-22 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 83.039, 37.860, 142.609 |
Unit cell angles | 90.00, 104.27, 90.00 |
Refinement procedure
Resolution | 63.110 - 1.550 |
R-factor | 0.1935 |
Rwork | 0.193 |
R-free | 0.22520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | AlphaFold2 model of BmGH11 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.7.7) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 80.480 | 80.480 | 1.580 |
High resolution limit [Å] | 1.550 | 8.480 | 1.550 |
Rmerge | 0.129 | 0.069 | 1.090 |
Rmeas | 0.154 | 0.083 | 1.345 |
Rpim | 0.083 | 0.045 | 0.773 |
Total number of observations | 412389 | 2603 | 15885 |
Number of reflections | 125550 | 874 | 5922 |
<I/σ(I)> | 4.3 | 9 | 0.8 |
Completeness [%] | 99.5 | 99.4 | 94.9 |
Redundancy | 3.3 | 3 | 2.7 |
CC(1/2) | 0.989 | 0.977 | 0.369 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | JCSG+ kit condition D12: 0.04 M Potassium phosphate monobasic, 16 % w/v PEG 8000, 20% w/v glycerol; 32.5 mg/mL BmGH11. 3 weeks at room temperature. |