4RBX
Crystal structure of human alpha-defensin 5, HD5 (Glu21Arg mutant)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-01-31 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 41.957, 41.957, 68.025 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.336 - 1.100 |
R-factor | 0.186 |
Rwork | 0.186 |
R-free | 0.18810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zmp |
RMSD bond length | 0.011 |
RMSD bond angle | 1.530 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)/REFMAC 5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.400 | 1.130 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.070 | 0.382 |
Number of reflections | 18233 | |
<I/σ(I)> | 34.6 | 4.5 |
Completeness [%] | 92.4 | 98.2 |
Redundancy | 28.3 | 11.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 6.6% PEG 8000, 3.3% Isopropanol, 0.2M Ammonium sulfate and 0.1M Hepes pH7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |