8WCJ
Crystal structure of GB3 penta mutation L5V/K10H/T16S/K19E/Y33I
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 | 2022-11-27 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9793 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 70.130, 70.130, 53.512 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.060 - 1.550 |
R-factor | 0.2078 |
Rwork | 0.205 |
R-free | 0.23250 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.006 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.18.2_3874: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.580 |
High resolution limit [Å] | 1.550 | 4.210 | 1.550 |
Rmerge | 0.072 | 0.048 | 0.259 |
Rmeas | 0.075 | 0.051 | 0.274 |
Rpim | 0.022 | 0.016 | 0.088 |
Number of reflections | 10131 | 574 | 490 |
<I/σ(I)> | 9.2 | ||
Completeness [%] | 100.0 | 99.7 | 100 |
Redundancy | 12 | 10.9 | 9.9 |
CC(1/2) | 0.997 | 0.970 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 60% v/v Tacsimate pH 7.0 |