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 |