4ZXZ
Crystal structure of a highly thermal stable but inactive levoglucosan kinase.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 296 |
Detector technology | IMAGE PLATE |
Collection date | 2014-10-30 |
Detector | RIGAKU |
Wavelength(s) | 1.54180 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 85.180, 88.950, 139.460 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.130 - 2.200 |
R-factor | 0.1703 |
Rwork | 0.168 |
R-free | 0.21020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4yh5 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.128 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.130 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.147 | 0.765 |
Number of reflections | 49339 | |
<I/σ(I)> | 6.9 | 1.6 |
Completeness [%] | 90.9 | 79 |
Redundancy | 3.6 | 2.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 296 | Crystals were grown by mixing equal volumes of reservoir buffer containing 18% PEG3350 and 500 mM ammonium tartrate and the LGK construct at 21.5 mg/ml in crystallization buffer containing 20 mM Tris pH 7.5, 50 mM NaCl and 0.5 mM TCEP. |