6P61
Structure of a Glycosyltransferase from Leptospira borgpetersenii serovar Hardjo-bovis (strain JB197)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-05-14 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.00003 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.250, 123.170, 76.770 |
Unit cell angles | 90.00, 92.44, 90.00 |
Refinement procedure
Resolution | 33.152 - 1.950 |
R-factor | 0.1519 |
Rwork | 0.151 |
R-free | 0.18350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3BCV_B as per RosettaMR |
RMSD bond length | 0.007 |
RMSD bond angle | 0.743 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MR-Rosetta |
Refinement software | PHENIX ((dev_3500)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 33.152 | 33.152 | 2.000 |
High resolution limit [Å] | 1.950 | 8.720 | 1.950 |
Rmerge | 0.051 | 0.020 | 0.373 |
Rmeas | 0.061 | 0.024 | 0.477 |
Total number of observations | 246869 | ||
Number of reflections | 75239 | 877 | 5140 |
<I/σ(I)> | 14.82 | 43.45 | 2.16 |
Completeness [%] | 99.0 | 98.1 | 92.2 |
Redundancy | 3.281 | 3.231 | 2.29 |
CC(1/2) | 0.999 | 0.999 | 0.797 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 290 | Optimization screen based on MCSG-1, condition F3: 200mM Ammonium citrate dibasic pH 5.5, 18% (w/V) PEG 3350: LpboA.19148.a.B1.PS38508 at 26.29mg/ml, seeded: cryo: 20% EG: tray 309474 e3: puck irc8-7. Protein purified in 20mM HEPES pH7, 300mM NaCl, 5% Glycerol, 1mM TCEP |