5UDX
LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, in complex with zinc
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-06-19 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9786 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 107.828, 107.828, 319.784 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.110 - 2.784 |
R-factor | 0.2057 |
Rwork | 0.203 |
R-free | 0.25940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5udq |
RMSD bond length | 0.007 |
RMSD bond angle | 0.611 |
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] | 49.000 | 49.000 | 2.880 |
High resolution limit [Å] | 2.780 | 11.130 | 2.780 |
Rmerge | 0.108 | 0.036 | 0.704 |
Rmeas | 0.116 | ||
Rpim | 0.044 | ||
Total number of observations | 338409 | ||
Number of reflections | 48286 | ||
<I/σ(I)> | 14.4 | ||
Completeness [%] | 99.7 | 97.7 | 97.7 |
Redundancy | 7 | 5.2 | 7.2 |
CC(1/2) | 0.997 | 0.999 | 0.767 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 294.15 | 5 ul ~24 mg/ml LarE (100 mM Tris-HCl pH 7.5, 300 mM NaCl) mixed with 5 ul of reservoir solution. Hanging drop reservoir contained 100 ul of 25.0% v/v pentaerythritol ethoxylate (15/4 EO/OH), 50 mM BIS-TRIS pH 6.5, 50 mM ammonium phosphate. 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 zinc sulfate. |