6DA7
Crystal structure of the TtnD decarboxylase from the tautomycetin biosynthesis pathway of Streptomyces griseochromogenes with apo form at 1.83 A resolution (I222)
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 | 2015-03-28 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.9787 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 52.352, 114.387, 194.351 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.770 - 1.830 |
| R-factor | 0.19 |
| Rwork | 0.189 |
| R-free | 0.21300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6da6 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.030 |
| 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] | 26.770 | 47.600 | 1.880 |
| High resolution limit [Å] | 1.830 | 8.180 | 1.830 |
| Rmerge | 0.079 | 0.016 | 1.768 |
| Rmeas | 0.085 | 0.017 | 1.903 |
| Rpim | 0.031 | 0.007 | 0.699 |
| Total number of observations | 4156 | 26982 | |
| Number of reflections | 52018 | ||
| <I/σ(I)> | 18.5 | 36.4 | 0.4 |
| Completeness [%] | 99.8 | 98.9 | 97.6 |
| Redundancy | 3.858 | 6.3 | 7.2 |
| CC(1/2) | 0.999 | 1.000 | 0.534 |
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 |
