2NLQ
Human beta-defensin-1 (Mutant Lys31Ala)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-05-10 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54178 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 97.890, 27.680, 58.260 |
| Unit cell angles | 90.00, 113.50, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.800 |
| R-factor | 0.183 |
| Rwork | 0.179 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ijv |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.612 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
| Rmerge | 0.066 | 0.035 | 0.390 |
| Number of reflections | 13163 | ||
| <I/σ(I)> | 17 | ||
| Completeness [%] | 96.5 | 100 | 76.6 |
| Redundancy | 3.2 | 3.3 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | PEG 8000, AMMONIUM SULFATE, vapor diffusion, temperature 293K |
