3TTU
Structure of F413Y/H128N double variant of E. coli KatE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-03-19 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.543 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 93.620, 132.960, 122.670 |
| Unit cell angles | 90.00, 109.39, 90.00 |
Refinement procedure
| Resolution | 35.462 - 1.890 |
| R-factor | 0.1466 |
| Rwork | 0.144 |
| R-free | 0.19310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gge |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.848 |
| 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] | 35.462 | 35.462 | 2.000 |
| High resolution limit [Å] | 1.890 | 5.990 | 1.890 |
| Rmerge | 0.027 | 0.214 | |
| Total number of observations | 28628 | 76557 | |
| Number of reflections | 188835 | ||
| <I/σ(I)> | 14.9 | 23.6 | 3.6 |
| Completeness [%] | 84.3 | 99.1 | 65.5 |
| Redundancy | 3.9 | 4 | 3.6 |
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 |
