8RO4
The crystal structure of 2-hydroxy-3-keto-glucal hydratase AtHYD from A. tumefaciens
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-05-10 |
Detector | DECTRIS EIGER2 S 16M |
Wavelength(s) | 1.0121 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 82.320, 165.550, 93.380 |
Unit cell angles | 90.00, 113.34, 90.00 |
Refinement procedure
Resolution | 48.040 - 2.510 |
R-factor | 0.1817 |
Rwork | 0.181 |
R-free | 0.21730 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.548 |
Data reduction software | XDS (Feb 5, 2021) |
Data scaling software | XSCALE |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.040 | 2.600 |
High resolution limit [Å] | 2.510 | 2.510 |
Rmerge | 0.096 | 0.790 |
Rmeas | 0.114 | 0.930 |
Number of reflections | 76408 | 7125 |
<I/σ(I)> | 8.01 | 1.38 |
Completeness [%] | 97.9 | 91.3 |
Redundancy | 3.5 | 3.5 |
CC(1/2) | 0.995 | 0.610 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | JCSG+, condition G4 (0.2 M Trimethylamine N-oxide, 0.1M Tris pH 8.5, 20% w/vPEG 2000 MME) Protein buffer: 10 mM HEPES pH 7.0, 150 mM NaCl, 0.1 mM TCEP, 0.1 mM MnCl2 0.5 ul screen condition + 0.5 ul protein solution (7.5 mg/ml) |