5RGE
Crystal Structure of Kemp Eliminase HG3.17 with bound transition state analog, 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 | 51.280, 58.130, 92.480 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.460 - 1.770 |
| Rwork | 0.150 |
| R-free | 0.17940 |
| 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] | 38.460 | 38.460 | 1.800 |
| High resolution limit [Å] | 1.770 | 4.800 | 1.770 |
| Rmeas | 0.262 | 0.094 | 1.521 |
| Rpim | 0.101 | 0.038 | 0.606 |
| Total number of observations | 179086 | 8999 | 8187 |
| Number of reflections | 27504 | 1523 | 1341 |
| <I/σ(I)> | 5.5 | 14.7 | 1 |
| Completeness [%] | 99.5 | 100 | 99.6 |
| Redundancy | 6.5 | 5.9 | 6.1 |
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 |
