6XCK
Crystal structure of C-As lyase with mutation K105E
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-08-31 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.250, 43.195, 119.431 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.204 - 1.620 |
| R-factor | 0.2164 |
| Rwork | 0.214 |
| R-free | 0.25380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5v0f |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.227 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.680 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Rmeas | 0.065 | 0.556 |
| Rpim | 0.017 | 0.147 |
| Number of reflections | 28571 | 2845 |
| <I/σ(I)> | 36.3 | 5.4 |
| Completeness [%] | 99.5 | 100 |
| Redundancy | 24 | 13.8 |
| CC(1/2) | 0.991 | 0.972 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 0.2 M Calcium acetate, 0.1 M Tris-HCl, 20% PEG 4000 |
