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 |