4ZFK
Ergothioneine-biosynthetic Ntn hydrolase EgtC with glutamine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-09-05 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9184 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 61.796, 109.993, 139.327 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.457 - 1.820 |
R-factor | 0.1474 |
Rwork | 0.146 |
R-free | 0.17650 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4zfj |
RMSD bond length | 0.006 |
RMSD bond angle | 1.057 |
Data reduction software | XDS |
Data scaling software | Aimless (0.2.17) |
Phasing software | MOLREP (11.0.05) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.440 | 46.440 | 1.850 |
High resolution limit [Å] | 1.820 | 9.630 | 1.820 |
Rmerge | 0.122 | 0.025 | 0.798 |
Rpim | 0.069 | 0.016 | 0.445 |
Total number of observations | 355388 | 2299 | 18637 |
Number of reflections | 85790 | ||
<I/σ(I)> | 11.5 | 34.1 | 2 |
Completeness [%] | 99.9 | 96.7 | 99.9 |
Redundancy | 4.1 | 3.5 | 4.2 |
CC(1/2) | 0.995 | 0.999 | 0.609 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M sodium acetate pH 4.7, 50% ethylene glycol |