6B2O
LarE, a sulfur transferase involved in synthesis of the cofactor for lactate racemase, C176A variant
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 | 2016-11-25 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9786 |
Spacegroup name | P 41 2 2 |
Unit cell lengths | 108.660, 108.660, 328.666 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.670 - 2.350 |
R-factor | 0.19 |
Rwork | 0.187 |
R-free | 0.24360 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5udq |
RMSD bond length | 0.007 |
RMSD bond angle | 0.922 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.28) |
Phasing software | PHASER (2.7.16) |
Refinement software | PHENIX (1.12-2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.670 | 48.670 | 2.390 |
High resolution limit [Å] | 2.350 | 12.190 | 2.350 |
Rmerge | 0.108 | 0.023 | 1.130 |
Rmeas | 0.114 | 0.025 | 1.183 |
Rpim | 0.034 | 0.008 | 0.347 |
Total number of observations | 932078 | ||
Number of reflections | 82741 | 708 | 4345 |
<I/σ(I)> | 18.9 | ||
Completeness [%] | 99.5 | 97.4 | 97.3 |
Redundancy | 11.3 | 8.1 | 11.2 |
CC(1/2) | 0.999 | 0.999 | 0.702 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 294.15 | 5 ul 8 mg/ml LarE-C176A (100 mM Tris-HCl pH 7.5, 300 mM NaCl) were mixed with 5 ul of reservoir solution. Hanging drop reservoir contained 100 ul of 30.0% v/v pentaerythritol ethoxylate (15/4 EO/OH), 50 mM BIS-TRIS pH 6.5, 100 mM ammonium sulfate. |