2PM4
Human alpha-defensin 1 (multiple Arg->Lys mutant)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-03-02 |
Detector | MAR scanner 345 mm plate |
Spacegroup name | P 42 2 2 |
Unit cell lengths | 41.383, 41.383, 97.165 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.950 |
R-factor | 0.19479 |
Rwork | 0.192 |
R-free | 0.24860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dfn |
RMSD bond length | 0.020 |
RMSD bond angle | 1.915 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.048 | 0.412 |
Number of reflections | 6505 | |
<I/σ(I)> | 21 | 3.1 |
Completeness [%] | 97.0 | 95.5 |
Redundancy | 3.4 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.4 M ammonium phosphate monobasic, VAPOR DIFFUSION, HANGING DROP, temperature 293K |