5RG9
Crystal Structure of Kemp Eliminase HG4 in unbound state, 277K
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] | 277 |
| Detector technology | PIXEL |
| Collection date | 2018-06-01 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.1158 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.290, 79.990, 98.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 79.990 - 1.470 |
| Rwork | 0.143 |
| R-free | 0.16330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | XDS |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 79.990 | 80.110 | 1.500 |
| High resolution limit [Å] | 1.470 | 3.990 | 1.470 |
| Rmeas | 0.117 | 0.059 | 1.348 |
| Rpim | 0.048 | 0.025 | 0.550 |
| Total number of observations | 601193 | 30028 | 29933 |
| Number of reflections | 103164 | 5499 | 5101 |
| <I/σ(I)> | 8.2 | 23.2 | 1.1 |
| Completeness [%] | 99.7 | 100 | 99.6 |
| Redundancy | 5.8 | 5.5 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | 1.8-2.4 M Ammonium Sulfate, 4mg/mL Protein Concentration, 100mM Sodium Acetate |
