3TTV
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 | 2011-06-29 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 93.560, 133.050, 122.640 |
| Unit cell angles | 90.00, 109.29, 90.00 |
Refinement procedure
| Resolution | 32.163 - 1.450 |
| R-factor | 0.1465 |
| Rwork | 0.145 |
| R-free | 0.17180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gge |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.663 |
| 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] | 32.163 | 32.163 | 1.530 |
| High resolution limit [Å] | 1.450 | 4.590 | 1.450 |
| Rmerge | 0.038 | 0.492 | |
| Total number of observations | 60660 | 215438 | |
| Number of reflections | 482858 | ||
| <I/σ(I)> | 7.9 | 16.4 | 1.5 |
| Completeness [%] | 96.9 | 99.4 | 92 |
| Redundancy | 3.4 | 3.8 | 3.2 |
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 |
