3P9S
Structure of I274A 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 | 2009-08-27 |
| Detector | Marmosaic |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 93.560, 133.170, 122.810 |
| Unit cell angles | 90.00, 109.24, 90.00 |
Refinement procedure
| Resolution | 31.290 - 1.900 |
| R-factor | 0.14 |
| Rwork | 0.137 |
| R-free | 0.19100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.000 |
| Data reduction software | MOSFLM (3.3.15) |
| 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] | 31.288 | 31.309 | 2.000 |
| High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
| Rmerge | 0.049 | 0.284 | |
| Total number of observations | 27016 | 51534 | |
| Number of reflections | 197718 | ||
| <I/σ(I)> | 7.5 | 11.7 | 2.1 |
| Completeness [%] | 88.9 | 98.7 | 74 |
| Redundancy | 2.8 | 3.8 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 17% PEG3350, 1.6 M LiCl, 0.1 M Tris, pH 9.0, vapor diffusion, hanging drop, temperature 293K |
