3PQ4
Structure of I274C variant of E. coli KatE[] - Images 13-18
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 | 93.507, 133.031, 122.646 |
| Unit cell angles | 90.00, 109.39, 90.00 |
Refinement procedure
| Resolution | 35.190 - 1.790 |
| R-factor | 0.1435 |
| Rwork | 0.141 |
| R-free | 0.18940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3p9q |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.031 |
| 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] | 35.193 | 35.193 | 1.900 |
| High resolution limit [Å] | 1.794 | 5.690 | 1.800 |
| Rmerge | 0.074 | 0.430 | |
| Total number of observations | 32852 | 106633 | |
| Number of reflections | 242816 | ||
| <I/σ(I)> | 7.9 | 7.3 | 1.4 |
| Completeness [%] | 92.8 | 96.3 | 88.8 |
| Redundancy | 3.5 | 4 | 3.2 |
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 |
