3P9P
Structure of I274V 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 325 mm CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 93.500, 132.820, 122.590 |
| Unit cell angles | 90.00, 109.47, 90.00 |
Refinement procedure
| Resolution | 29.160 - 1.500 |
| R-factor | 0.1504 |
| Rwork | 0.149 |
| R-free | 0.18480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.335 |
| 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] | 115.580 | 29.161 | 1.580 |
| High resolution limit [Å] | 1.500 | 4.740 | 1.500 |
| Rmerge | 0.067 | 0.590 | |
| Total number of observations | 65206 | 181058 | |
| Number of reflections | 426044 | ||
| <I/σ(I)> | 7 | 8.8 | 1.2 |
| Completeness [%] | 95.0 | 99.3 | 89.1 |
| Redundancy | 3.7 | 4.5 | 3.1 |
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 |
