6UTP
LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase in complex with cobalt
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-04-09 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.60 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 106.210, 106.210, 313.550 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 87.930 - 3.550 |
R-factor | 0.234 |
Rwork | 0.231 |
R-free | 0.29780 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5udq |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.17.1-3644) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 87.930 | 87.930 | 3.830 |
High resolution limit [Å] | 3.550 | 9.390 | 3.550 |
Rmerge | 0.226 | 0.054 | 0.843 |
Rmeas | 0.237 | 0.056 | 0.879 |
Rpim | 0.068 | 0.016 | 0.243 |
Total number of observations | 16894 | 43827 | |
Number of reflections | 20329 | 1408 | 3838 |
<I/σ(I)> | 9 | 21.8 | 3.2 |
Completeness [%] | 89.6 | 99.9 | 84.4 |
Redundancy | 10.5 | 12 | 11.4 |
CC(1/2) | 0.994 | 0.998 | 0.914 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 294.15 | 0.6 uL ~24 mg/ml LarE (100 mM Tris-HCl pH 7.5, 300 mM NaCl) mixed with 1.2 uL of reservoir solution. Hanging drop reservoir contained 100 uL of 25% v/v pentaerythritol ethoxylate (15/4 EO/OH), 50 mM MOPS pH 7.0, 100 mM ammonium sulfate. Crystal soaked 5 minutes in ~20 mM cobalt sulfate, 30% v/v pentaerythritol ethoxylate (15/4 EO/OH), 50 mM BIS-TRIS pH 6.5, 50 mM ammonium sulfate |