5RGF
Crystal Structure of Kemp Eliminase HG4 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 | 76.410, 79.940, 99.010 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.210 - 1.460 |
Rwork | 0.132 |
R-free | 0.14970 |
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] | 38.210 | 38.220 | 1.490 |
High resolution limit [Å] | 1.460 | 3.960 | 1.460 |
Rmeas | 0.116 | 0.059 | 1.371 |
Rpim | 0.028 | 0.014 | 0.375 |
Total number of observations | 1828239 | 91826 | 67477 |
Number of reflections | 105704 | 5642 | 5201 |
<I/σ(I)> | 13.2 | 43.9 | 1.6 |
Completeness [%] | 100.0 | 100 | 99.9 |
Redundancy | 17.3 | 16.3 | 13 |
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 |