6DA9
Crystal structure of the TtnD decarboxylase from the tautomycetin biosynthesis pathway of Streptomyces griseochromogenes with FMN bound at 2.05 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-12-12 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 52.070, 116.109, 193.969 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.980 - 2.050 |
| R-factor | 0.194 |
| Rwork | 0.193 |
| R-free | 0.21600 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6da7 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.030 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX (1.10_2155) |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.500 | 48.490 | 2.100 |
| High resolution limit [Å] | 2.050 | 9.170 | 2.050 |
| Rmerge | 0.134 | 0.043 | 1.392 |
| Rmeas | 0.144 | 0.047 | 1.522 |
| Rpim | 0.053 | 0.019 | 0.604 |
| Total number of observations | 2590 | 15748 | |
| Number of reflections | 37316 | ||
| <I/σ(I)> | 10.7 | 31.1 | 1.3 |
| Completeness [%] | 97.8 | 97.3 | 96.4 |
| Redundancy | 7.24 | 5.6 | 6 |
| CC(1/2) | 0.998 | 0.998 | 0.577 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 3 mM TtnD1, 3 mM MnCl2, 0.5 mM FMN, 20% (v/v) glycerol in precipitant solution |
