1FD4
HUMAN BETA-DEFENSIN 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| 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 1 21 1 |
| Unit cell lengths | 54.525, 79.950, 74.271 |
| Unit cell angles | 90.00, 105.30, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.700 |
| R-factor | 0.1876 |
| Rwork | 0.188 |
| R-free | 0.26390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | HUMAN BETA-DEFESIN-2 |
| RMSD bond length | 0.006 * |
| RMSD bond angle | 0.020 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.043 | 0.273 |
| Total number of observations | 165583 * | |
| Number of reflections | 65644 | |
| <I/σ(I)> | 24.2 | 4.7 |
| Completeness [%] | 97.1 * | 96.3 |
| Redundancy | 2.4 | 2.1 |
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) |
