5DBN
Crystal structure of AtoDA complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2014-07-10 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.680, 175.680, 76.160 |
| Unit cell angles | 90.00, 113.01, 90.00 |
Refinement procedure
| Resolution | 44.323 - 2.549 |
| R-factor | 0.1894 |
| Rwork | 0.188 |
| R-free | 0.22060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k6d |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.737 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 87.840 | 2.610 | |
| High resolution limit [Å] | 2.550 | 11.400 | 2.550 |
| Rmerge | 0.139 | 0.034 | 0.676 |
| Rmeas | 0.149 | 0.036 | 0.729 |
| Total number of observations | 437267 | ||
| Number of reflections | 57378 | 661 | 3928 |
| <I/σ(I)> | 14.71 | 49.59 | 3.13 |
| Completeness [%] | 98.7 | 97.1 | 92.1 |
| Redundancy | 7.62 | 7.01 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1:1 protein to reservoir solution (0.2 M magnesium chloride, 0.1 M Bis-Tris, pH 6.5, 25% PEG3350), crystals grew in ~4 days, cryoprotectant: reservoir solution + 10% PEG400 |
