5RGC
Crystal Structure of Kemp Eliminase HG3.7 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 | 76.260, 79.810, 98.720 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 79.810 - 1.390 |
Rwork | 0.127 |
R-free | 0.14120 |
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] | 79.810 | 79.940 | 1.410 |
High resolution limit [Å] | 1.390 | 3.770 | 1.390 |
Rmeas | 0.105 | 0.046 | 1.171 |
Rpim | 0.029 | 0.013 | 0.359 |
Total number of observations | 1541299 | 76984 | 60173 |
Number of reflections | 121461 | 6463 | 6015 |
<I/σ(I)> | 12.6 | 45.5 | 1.3 |
Completeness [%] | 100.0 | 100 | 99.6 |
Redundancy | 12.7 | 11.9 | 10 |
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 |