8USE
Crystal Structure of Kemp Eliminase HG649 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 | 2023-06-15 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.130, 77.466, 93.785 |
Unit cell angles | 90.00, 105.39, 90.00 |
Refinement procedure
Resolution | 90.420 - 1.550 |
R-factor | 0.1484 |
Rwork | 0.147 |
R-free | 0.17270 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.811 |
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] | 90.420 | 1.580 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.110 | 0.770 |
Rmeas | 0.131 | 0.928 |
Rpim | 0.070 | 0.513 |
Number of reflections | 101581 | 4971 |
<I/σ(I)> | 7.9 | 1.4 |
Completeness [%] | 99.4 | 98.6 |
Redundancy | 3.3 | 3.1 |
CC(1/2) | 0.991 | 0.505 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 12.5 mg/mL protein, 0.3 M ammonium sulfate, 30% PEG4000 |