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 |
