8USG
Crystal Structure of Kemp Eliminase HG630 in unbound state, 280 K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 280 |
Detector technology | PIXEL |
Collection date | 2022-03-17 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.116, 77.521, 93.872 |
Unit cell angles | 90.00, 105.44, 90.00 |
Refinement procedure
Resolution | 45.240 - 1.370 |
R-factor | 0.1281 |
Rwork | 0.127 |
R-free | 0.14080 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.003 |
Data reduction software | xia2 (0.5.492) |
Data scaling software | Aimless (Xia2 0.5.492) |
Phasing software | PHASER (v1.13.2998) |
Refinement software | PHENIX (v1.13-2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 90.600 | 1.340 |
High resolution limit [Å] | 1.320 | 1.320 |
Rmerge | 0.080 | 0.897 |
Rmeas | 0.096 | |
Rpim | 0.052 | 0.585 |
Number of reflections | 164672 | 8177 |
<I/σ(I)> | 9.4 | 1.1 |
Completeness [%] | 99.7 | 98.9 |
Redundancy | 3.3 | 3.2 |
CC(1/2) | 0.995 | 0.477 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 293 | 10.6 mg/mL protein, 100 mM sodium acetate, pH 4.8, 1.4 M ammonium sulfate |