6QUN
Crystal structure of AtGapC1 with the catalytic Cys149 irreversibly oxidized by H2O2 treatment
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-05-15 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 1.26 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 77.677, 77.677, 407.346 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.785 - 3.000 |
| R-factor | 0.231 |
| Rwork | 0.228 |
| R-free | 0.29180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4z0h |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.932 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.790 | 3.160 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.112 | 0.453 |
| Rmeas | 0.120 | 0.483 |
| Rpim | 0.043 | 0.168 |
| Number of reflections | 15798 | 2164 |
| <I/σ(I)> | 13.5 | 4.1 |
| Completeness [%] | 99.8 | 98.6 |
| Redundancy | 7.8 | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 3.0 M (NH4)2SO4, 0.1 M Hepes-NaOH (pH 7.5), 0.1 mM H2O2 |
