6CS9
Crystal structure of human beta-defensin 2 in complex with PIP2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-07-20 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 32.871, 25.538, 40.170 |
Unit cell angles | 90.00, 98.64, 90.00 |
Refinement procedure
Resolution | 39.714 - 1.850 |
R-factor | 0.1964 |
Rwork | 0.195 |
R-free | 0.22670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1fd4 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.32) |
Phasing software | PHASER (2.7.16) |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.710 | 39.710 | 1.890 |
High resolution limit [Å] | 1.850 | 9.060 | 1.850 |
Rmerge | 0.068 | 0.032 | 0.783 |
Rmeas | 0.081 | 0.040 | 1.010 |
Rpim | 0.043 | 0.023 | 0.623 |
Total number of observations | 20208 | 199 | 742 |
Number of reflections | 5703 | 63 | 300 |
<I/σ(I)> | 10.5 | 27.7 | 1.1 |
Completeness [%] | 98.4 | 99 | 87 |
Redundancy | 3.5 | 3.2 | 2.5 |
CC(1/2) | 0.997 | 0.998 | 0.509 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.38 | 293.15 | 0.697M Sodium-malonate-malonic acid, 0.1M glycine-glycine, pH 8.38 |