2NLE
Human beta-defensin-1 (Mutant Gln11Ala)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-06-18 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97180 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 34.220, 22.780, 40.150 |
Unit cell angles | 90.00, 108.50, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.350 |
R-factor | 0.154 |
Rwork | 0.151 |
R-free | 0.19800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ijv |
RMSD bond length | 0.018 |
RMSD bond angle | 1.862 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.400 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmerge | 0.037 | 0.207 |
Number of reflections | 13193 | |
<I/σ(I)> | 29 | 7.5 |
Completeness [%] | 99.7 | 99.7 |
Redundancy | 3.9 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 4.6 | 293 | PEG 4000, AMMONIUM SULFATE, SODIUM ACETATE, GLYCEROL, pH 4.6, vapor diffusion, temperature 293K |