4ENW
Structure of the S234N 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 | 93.393, 132.570, 122.567 |
| Unit cell angles | 90.00, 109.23, 90.00 |
Refinement procedure
| Resolution | 35.131 - 1.900 |
| R-factor | 0.1769 |
| Rwork | 0.175 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gge |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.068 |
| Data scaling software | SCALA (3.3.16) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 35.131 | 35.131 | 2.000 |
| High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
| Rmerge | 0.043 | 0.238 | |
| Total number of observations | 23597 | 75231 | |
| Number of reflections | 206796 | ||
| <I/σ(I)> | 8.7 | 13.9 | 2.1 |
| Completeness [%] | 93.6 | 96.4 | 85.5 |
| Redundancy | 3.2 | 3.4 | 2.7 |
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 |
