5BVC
Crystal structure of Lipomyces starkeyi levoglucosan kinase bound to ADP, magnesium and levoglucosan in an alternate orientation.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-07-08 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.12709 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 70.250, 70.250, 264.190 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.270 - 2.000 |
R-factor | 0.2051 |
Rwork | 0.204 |
R-free | 0.23200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4yh5 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.117 |
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] | 43.270 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.100 | 0.592 |
Number of reflections | 44939 | |
<I/σ(I)> | 6.2 | 2 |
Completeness [%] | 98.5 | 99.9 |
Redundancy | 3.3 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 296 | Equal amounts of LGK (25 mg/ml) in crystallization buffer (100 mM NaCl, 0.5 mM TCEP, 20 mM Tris pH 7.5, 2 mM ADP, 4 mM MgCl, 1 mM aluminum nitrate and 10 mM sodium fluoride) and crystallization buffer (1.3 M sodium malonate, 0.093 M Bis-Tris Propane pH 7.0) were mixed and and a resultant crystal was soaked with 200 mM levoglucosan. |