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) |