6XCS
Erythromycin esterase mutant EreC H289N in its open conformation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08B1-1 |
Synchrotron site | CLSI |
Beamline | 08B1-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-02-02 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 1.03322 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 95.367, 74.214, 129.290 |
Unit cell angles | 90.00, 96.50, 90.00 |
Refinement procedure
Resolution | 44.800 - 2.400 |
R-factor | 0.2431 |
Rwork | 0.240 |
R-free | 0.28990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6xcq |
RMSD bond length | 0.009 |
RMSD bond angle | 1.318 |
Data reduction software | xia2 |
Data scaling software | DIALS |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.1_3469) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.804 | 2.486 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.101 | |
Rmeas | 0.117 | |
Rpim | 0.059 | |
Number of reflections | 35225 | 3479 |
<I/σ(I)> | 13.22 | |
Completeness [%] | 99.5 | |
Redundancy | 3.9 | |
CC(1/2) | 0.996 | 0.682 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295.15 | 0.1M sodium acetate pH 4.5, 5% (w/v) PEG 1000, 50% (v/v) ethylene glycol. |