5RGA
Crystal Structure of Kemp Eliminase HG3 with bound transition state analogue, 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 | 76.240, 79.880, 99.050 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.150 - 1.860 |
Rwork | 0.148 |
R-free | 0.18630 |
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] | 55.150 | 55.180 | 1.890 |
High resolution limit [Å] | 1.860 | 5.050 | 1.860 |
Rmeas | 0.238 | 0.103 | 1.038 |
Rpim | 0.067 | 0.029 | 0.332 |
Total number of observations | 656106 | 32732 | 23483 |
Number of reflections | 51523 | 2787 | 2513 |
<I/σ(I)> | 6.8 | 16.3 | 1 |
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 12.7 | 11.7 | 9.3 |
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 |