1FD3
HUMAN BETA-DEFENSIN 2
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X9B |
Synchrotron site | NSLS |
Beamline | X9B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1999-10-02 |
Detector | ADSC |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 50.050, 103.910, 28.270 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.350 |
R-factor | 0.1609 |
Rwork | 0.164 |
R-free | 0.23670 |
Structure solution method | MAD |
RMSD bond length | 0.010 |
RMSD bond angle | 0.030 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MLPHARE |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.400 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.031 | 0.204 |
Total number of observations | 137572 * | |
Number of reflections | 32227 * | |
<I/σ(I)> | 55 | 6.5 |
Completeness [%] | 96.7 | 90.1 |
Redundancy | 4.2 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298.15 | used macroseeding * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG4000 | 20 (%) | |
2 | 1 | reservoir | Tris-HCl | 0.066 (M) | |
3 | 1 | reservoir | 0.133 (M) |