3PX2
Structure of TylM1 from Streptomyces fradiae H123N mutant in complex with SAH and dTDP-Quip3N
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-08-06 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.571, 40.703, 87.208 |
| Unit cell angles | 90.00, 117.93, 90.00 |
Refinement procedure
| Resolution | 77.050 - 1.650 |
| R-factor | 0.19669 |
| Rwork | 0.194 |
| R-free | 0.24458 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pfh |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.286 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 77.100 | 1.750 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.081 | 0.390 |
| Number of reflections | 60958 | |
| <I/σ(I)> | 9.6 | 1.8 |
| Completeness [%] | 93.4 | 83.4 |
| Redundancy | 3.4 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 295 | 16% PEG 5000 monomethyl-ether, 2% 1,4-dioxane, 100mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
