3P9Q
Structure of I274C 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 | 2009-12-09 |
| Detector | Marmosaic |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 93.660, 133.020, 122.590 |
| Unit cell angles | 90.00, 109.59, 90.00 |
Refinement procedure
| Resolution | 28.550 - 1.480 |
| R-factor | 0.1451 |
| Rwork | 0.143 |
| R-free | 0.17750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.357 |
| 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] | 28.550 | 28.553 | 1.560 |
| High resolution limit [Å] | 1.480 | 4.680 | 1.480 |
| Rmerge | 0.037 | 0.483 | |
| Total number of observations | 57311 | 148179 | |
| Number of reflections | 429958 | ||
| <I/σ(I)> | 8.4 | 16 | 1.6 |
| Completeness [%] | 91.8 | 99.5 | 79.7 |
| Redundancy | 3.1 | 3.8 | 2.7 |
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 |
