3GNU
Toxin fold as basis for microbial attack and plant defense
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2005-08-02 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 51.940, 51.940, 175.034 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.900 - 1.900 |
R-factor | 0.181 |
Rwork | 0.179 |
R-free | 0.22200 |
Structure solution method | MAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.521 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SnB |
Refinement software | REFMAC (5.3.0037) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.044 | 0.331 |
Number of reflections | 19306 | 2501 |
<I/σ(I)> | 4.7 | |
Completeness [%] | 97.4 | 90.1 |
Redundancy | 6.2 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.1M HEPES-NaOH, 5.0M NaCl, 2% DTT, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.1M HEPES-NaOH, 5.0M NaCl, 2% DTT, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |