4ENV
Structure of the S234I 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 | 93.230, 133.130, 122.710 |
| Unit cell angles | 90.00, 109.39, 90.00 |
Refinement procedure
| Resolution | 32.122 - 1.700 |
| R-factor | 0.1692 |
| Rwork | 0.167 |
| R-free | 0.20680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gge |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.384 |
| Data scaling software | SCALA (3.3.20) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 32.122 | 32.122 | 1.790 |
| High resolution limit [Å] | 1.700 | 5.380 | 1.700 |
| Rmerge | 0.031 | 0.188 | |
| Total number of observations | 26103 | 52942 | |
| Number of reflections | 246545 | ||
| <I/σ(I)> | 7.5 | 20.5 | 3.7 |
| Completeness [%] | 79.9 | 88.7 | 65.3 |
| Redundancy | 2.1 | 2.9 | 1.8 |
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 |
