6P63
Wild-type NIS synthetase DesD bound to AMP and substrate analog cadaverine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU R-AXIS IV |
| Temperature [K] | 80 |
| Detector technology | IMAGE PLATE |
| Collection date | 2014-04-16 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.54180 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 98.430, 74.240, 183.170 |
| Unit cell angles | 90.00, 94.70, 90.00 |
Refinement procedure
| Resolution | 69.832 - 2.400 |
| Rwork | 0.168 |
| R-free | 0.22670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2x0o |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.846 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 89.530 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.090 | 0.344 |
| Rmeas | 0.121 | 0.456 |
| Rpim | 0.081 | 0.296 |
| Number of reflections | 99262 | 4758 |
| <I/σ(I)> | 9.5 | 3.5 |
| Completeness [%] | 96.2 | 94.3 |
| Redundancy | 3.8 | 3.9 |
| CC(1/2) | 0.993 | 0.841 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.16 M magnesium chloride, 20% PEG, 0.08 M Tris hexahydrate, pH 8.5, 15% glycerol, 10% ethylene glycol |
