4AAZ
X-ray structure of Nicotiana alata Defensin 1 NaD1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-03-08 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 32.697, 32.685, 41.977 |
Unit cell angles | 90.00, 100.83, 90.00 |
Refinement procedure
Resolution | 41.230 - 1.400 |
R-factor | 0.1218 |
Rwork | 0.121 |
R-free | 0.13710 |
Structure solution method | SIRAS |
Starting model (for MR) | NONE |
RMSD bond length | 0.011 |
RMSD bond angle | 1.514 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.230 | 1.470 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.090 | 0.400 |
Number of reflections | 17174 | |
<I/σ(I)> | 18.1 | 4.6 |
Completeness [%] | 98.6 | 90.5 |
Redundancy | 6.9 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 9 | 20% PEG 1500 AND 10% SUCCINATE-PHOSPHATE-GLYCINE BUFFER PH 9 |