3TTT
Structure of F413Y 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 | 2010-02-07 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 93.560, 133.330, 122.160 |
| Unit cell angles | 90.00, 109.58, 90.00 |
Refinement procedure
| Resolution | 29.232 - 1.580 |
| R-factor | 0.1586 |
| Rwork | 0.157 |
| R-free | 0.18860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gge |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.500 |
| 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] | 29.232 | 29.232 | 1.670 |
| High resolution limit [Å] | 1.580 | 5.010 | 1.580 |
| Rmerge | 0.079 | 0.564 | |
| Total number of observations | 56262 | 223239 | |
| Number of reflections | 376838 | ||
| <I/σ(I)> | 7.3 | 7 | 1.2 |
| Completeness [%] | 98.9 | 98.2 | 98.6 |
| Redundancy | 4.3 | 4.7 | 4.1 |
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 |
