6OEW
Structure of a Cytidylyltransferase from Leptospira borgpetersenii serovar Hardjo-bovis (strain JB197)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-02-28 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 65.510, 65.510, 261.930 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.671 - 1.850 |
R-factor | 0.1731 |
Rwork | 0.171 |
R-free | 0.21470 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 0.989 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.15rc1_3423)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.671 | 43.671 | 1.900 |
High resolution limit [Å] | 1.850 | 8.270 | 1.850 |
Rmerge | 0.054 | 0.033 | 0.581 |
Rmeas | 0.057 | 0.035 | 0.614 |
Number of reflections | 50144 | 698 | 3620 |
<I/σ(I)> | 22.16 | 48.1 | 3.27 |
Completeness [%] | 100.0 | 97.6 | 100 |
Redundancy | 9.57 | 7.493 | 9.747 |
CC(1/2) | 0.999 | 0.999 | 0.954 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | Molecular Dimensions Morpheus screen, a6: 10% w/v PEG 8000, 20% v/v ethylene glycol, 30mM of each magnesium chloride and calcium chloride, 100mM MOPS/HEPES-Na pH 7.5: LpboA.19557.c.B1.PS38542 at 24.74mg/ml: cryo: direct: tray 306886 a6: puck ogn0-8. For experimental phasing, a crystal from Morpheus screen a3 (10% w/v PEG 4000, 20% v/v glycerol, 30mM of each magnesium chloride and calcium chloride, 100mM MES/imidazole pH 6.5: LpboA.19557.c.B1.PS38542 at 24.74mg/ml) was incubated for 20sec in a solution of 92.5% reservoir and 7.5% 5M Sodium iodide in ethylene glycol, and vitrified: tray: 306886 a3: puck: kzx0-4 |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | Molecular Dimensions Morpheus screen, a6: 10% w/v PEG 8000, 20% v/v ethylene glycol, 30mM of each magnesium chloride and calcium chloride, 100mM MOPS/HEPES-Na pH 7.5: LpboA.19557.c.B1.PS38542 at 24.74mg/ml: cryo: direct: tray 306886 a6: puck ogn0-8. For experimental phasing, a crystal from Morpheus screen a3 (10% w/v PEG 4000, 20% v/v glycerol, 30mM of each magnesium chloride and calcium chloride, 100mM MES/imidazole pH 6.5: LpboA.19557.c.B1.PS38542 at 24.74mg/ml) was incubated for 20sec in a solution of 92.5% reservoir and 7.5% 5M Sodium iodide in ethylene glycol, and vitrified: tray: 306886 a3: puck: kzx0-4 |