5UDW
LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in complex with nickel
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 | 2016-06-19 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9787 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 106.800, 106.800, 317.266 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.581 - 2.698 |
R-factor | 0.2007 |
Rwork | 0.198 |
R-free | 0.25730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5udq |
RMSD bond length | 0.009 |
RMSD bond angle | 1.102 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.25) |
Phasing software | PHASER (2.6.0) |
Refinement software | PHENIX (1.11.1-2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.581 | 48.580 | 2.780 |
High resolution limit [Å] | 2.689 | 11.120 | 2.700 |
Rmerge | 0.092 | 0.026 | 0.838 |
Number of reflections | 51502 | ||
<I/σ(I)> | 20.3 | ||
Completeness [%] | 99.8 | 98.5 | 98.5 |
Redundancy | 8.1 | 6.6 | 8.2 |
CC(1/2) | 0.999 | 0.999 | 0.788 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 294.15 | 3 ul ~24 mg/ml LarE (100 mM Tris-HCl pH 7.5, 300 mM NaCl) mixed with 1 ul of 30.0% v/v pentaerythritol ethoxylate (15/4 EO/OH), 50 mM BIS-TRIS pH 6.5, 50 mM ammonium sulfate containing crushed LarE crystals as microseeds. Sitting drop reservoir contained 100 ul of 30.0% v/v pentaerythritol ethoxylate (15/4 EO/OH), 50 mM BIS-TRIS pH 6.5, 50 mM ammonium sulfate. Crystal soaked 4.5 minutes in 30.0% v/v pentaerythritol ethoxylate (15/4 EO/OH), 50 mM BIS-TRIS pH 5.5, 50 mM ammonium sulfate, 38 mM nickle sulfate. |