1IJV
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) | 0.920 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 27.121, 47.243, 53.853 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.200 |
R-factor | 0.161 |
Rwork | 0.161 |
R-free | 0.19300 |
Structure solution method | AB INITIO |
RMSD bond length | 0.010 |
RMSD bond angle | 0.030 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 25.000 | 1.240 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.033 | 0.227 |
Number of reflections | 40500 | |
<I/σ(I)> | 23.5 | 3 |
Completeness [%] | 96.4 | 86.4 |
Redundancy | 2.2 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 285 | PEG 4000, ammonium sulfate, sodium acetate, potassium bromide, glycerol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 285K |