6DA6
Crystal structure of the TtnD decarboxylase from the tautomycetin biosynthesis pathway of Streptomyces griseochromogenes, apo form at 2.6 A resolution (P212121)
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 | CCD |
| Collection date | 2015-02-21 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.215, 137.117, 284.074 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.130 - 2.590 |
| R-factor | 0.196 |
| Rwork | 0.195 |
| R-free | 0.22700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wis |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.060 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER (2.5.6) |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.870 | 48.870 | 2.660 |
| High resolution limit [Å] | 2.590 | 11.590 | 2.590 |
| Rmerge | 0.151 | 0.027 | 1.314 |
| Rmeas | 0.162 | 0.029 | 1.409 |
| Rpim | 0.058 | 0.011 | 0.504 |
| Total number of observations | 512250 | 5085 | 35564 |
| Number of reflections | 65796 | ||
| <I/σ(I)> | 14 | 42.1 | 1.7 |
| Completeness [%] | 99.6 | 98.1 | 96.9 |
| Redundancy | 7.8 | 5.9 | 7.6 |
| CC(1/2) | 0.997 | 0.999 | 0.579 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 40.0 v/v pentaerythritol propoxylate (5/4 PO/OH); 0.10 M HEPES, pH=7.0; 0.20 M sodium thiocyanate, VAPOR DIFFUSION, SITTING DROP |
