4ENT
Structure of the S234A variant of E. coli KatE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-14 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 93.460, 133.050, 122.190 |
Unit cell angles | 90.00, 109.58, 90.00 |
Refinement procedure
Resolution | 33.262 - 1.700 |
R-factor | 0.1603 |
Rwork | 0.158 |
R-free | 0.19690 |
RMSD bond length | 0.022 |
RMSD bond angle | 2.445 |
Data scaling software | SCALA (3.3.16) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 33.262 | 33.262 | 1.790 |
High resolution limit [Å] | 1.700 | 5.380 | 1.700 |
Rmerge | 0.038 | 0.554 | |
Total number of observations | 33763 | 134632 | |
Number of reflections | 302611 | ||
<I/σ(I)> | 7.9 | 15.6 | 1.2 |
Completeness [%] | 98.2 | 98.8 | 93.5 |
Redundancy | 3.3 | 3.4 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 17% PEG3350, 1.6 M LiCl, 0.1 M Tris, pH 9.0, vapor diffusion, hanging drop, temperature 293K |