1IJU
HUMAN BETA-DEFENSIN-1
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 | 2001-03-04 |
| Detector | ADSC |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.817, 26.814, 58.833 |
| Unit cell angles | 90.00, 102.13, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.400 |
| R-factor | 0.168 |
| Rwork | 0.168 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | HUMAN BETA-DEFENSIN-1 |
| RMSD bond length | 0.010 |
| 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] | 20.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.042 | 0.242 |
| Total number of observations | 87587 * | |
| Number of reflections | 26325 | |
| <I/σ(I)> | 27.2 | 2.5 |
| Completeness [%] | 95.5 | 64.1 |
| Redundancy | 3.3 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 285 | PEG 4000, ammonium sulfate, sodium acetate, glycerol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 285K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | reservoir | PEG4000 | 30 (%) | |
| 3 | 1 | reservoir | glycerol | 15 (%) | |
| 4 | 1 | reservoir | ammonium sulfate | 0.1 (M) | |
| 5 | 1 | reservoir | 0.1 (M) |
