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. |
