7S2H
Crystal structure of Trypanosoma cruzi glucokinase in the apo form (open conformation)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-27 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 67.304, 78.920, 76.847 |
Unit cell angles | 90.00, 101.30, 90.00 |
Refinement procedure
Resolution | 35.920 - 1.800 |
R-factor | 0.1664 |
Rwork | 0.165 |
R-free | 0.19370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2q2r |
RMSD bond length | 0.013 |
RMSD bond angle | 1.719 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmeas | 0.083 | 0.949 |
Rpim | 0.031 | 0.344 |
Number of reflections | 72625 | 3637 |
<I/σ(I)> | 41.9 | 2.8 |
Completeness [%] | 100.0 | |
Redundancy | 7.5 | |
CC(1/2) | 0.833 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 1.0 uL of 7.4 mg/mL wt-TcGlcK in buffered solution [50 mM HEPES (pH 7.5), 0.2 M imidazole, 2 mM magnesium chloride] + 1.0 uL of precipitant solution [14% (w/v) PEG 3350, 0.1 M sodium citrate tribasic] was equilibrated against 85 uL of the precipitant solution using a 96-well sitting-drop plate (Innovadyne) |