3TTX
Structure of the F413K 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 | 2009-07-14 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 93.500, 132.960, 122.030 |
| Unit cell angles | 90.00, 109.69, 90.00 |
Refinement procedure
| Resolution | 35.182 - 1.740 |
| R-factor | 0.1477 |
| Rwork | 0.146 |
| R-free | 0.18490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gge |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.029 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.15) |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 35.182 | 35.182 | 1.830 |
| High resolution limit [Å] | 1.740 | 5.500 | 1.740 |
| Rmerge | 0.051 | 0.458 | |
| Total number of observations | 35391 | 125281 | |
| Number of reflections | 278239 | ||
| <I/σ(I)> | 9.7 | 11.3 | 1.6 |
| Completeness [%] | 97.2 | 99.6 | 89.8 |
| Redundancy | 3.7 | 3.8 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 17% PEG3350, 1.6 M lithium chloride, 0.1 M Tris, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
