6SRY
Kemp Eliminase HG3.17 mutant Q50S, E47N, N300D Complexed with Transition State Analog 6-Nitrobenzotriazole
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-12-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.7293 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 75.670, 77.590, 97.660 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.086 - 0.950 |
Rwork | 0.151 |
R-free | 0.17010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bs0 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.090 | 0.984 |
High resolution limit [Å] | 0.950 | 0.950 |
Number of reflections | 358809 | 35635 |
<I/σ(I)> | 7.62 | 1.09 |
Completeness [%] | 99.9 | |
Redundancy | 13 | |
CC(1/2) | 0.993 | 0.469 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 1.1 M AMMONIUM SULFATE, 100 MM SODIUM ACETATE, PH 5.9, SEEDING |