6EDI
Crystal structure of Leishmania braziliensis glucokinase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-02 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.979100 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 68.477, 63.261, 85.570 |
| Unit cell angles | 90.00, 107.81, 90.00 |
Refinement procedure
| Resolution | 49.966 - 1.850 |
| R-factor | 0.2149 |
| Rwork | 0.212 |
| R-free | 0.26180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2q2r |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.181 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.17) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 81.470 | 81.470 | 1.880 |
| High resolution limit [Å] | 1.840 | 9.030 | 1.840 |
| Rmerge | 0.098 | 0.068 | 1.174 |
| Rmeas | 0.116 | 0.080 | 1.393 |
| Rpim | 0.062 | 0.041 | 0.742 |
| Total number of observations | 1987 | 10695 | |
| Number of reflections | 58585 | 561 | 3246 |
| <I/σ(I)> | 10.3 | 36.8 | 1.1 |
| Completeness [%] | 97.4 | 99.8 | 88.5 |
| Redundancy | 3.4 | 3.5 | 3.3 |
| CC(1/2) | 0.994 | 0.995 | 0.438 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 1.0 uL 20.3 mg/mL LbGlcK in 50 mM HEPES, pH 7.5, 0.2 M imidazole, 2 mM magnesium chloride + 1.0 uL precipitant solution (26% w/v PEG3350, 0.2 M ammonium sulfate, 0.1 M Tris, pH 8.5) equilibrated against 80 uL precipitant solution, 96-well sitting-drop plate (Innovadyne), 295 K |
