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 |
