3TTW
Structure of the F413E 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 | 93.490, 132.850, 122.680 |
| Unit cell angles | 90.00, 109.36, 90.00 |
Refinement procedure
| Resolution | 31.249 - 1.620 |
| R-factor | 0.1585 |
| Rwork | 0.156 |
| R-free | 0.19920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gge |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.088 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 31.249 | 31.249 | 1.710 |
| High resolution limit [Å] | 1.620 | 5.120 | 1.620 |
| Rmerge | 0.041 | 0.581 | |
| Total number of observations | 43398 | 157606 | |
| Number of reflections | 311218 | ||
| <I/σ(I)> | 9.2 | 14.5 | 1.3 |
| Completeness [%] | 87.1 | 99.4 | 89.3 |
| Redundancy | 3.6 | 3.8 | 3.4 |
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 |
