2NLS
Human beta-defensin-1 (Mutant Gln24Ala)
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 | 2005-04-12 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97947 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 18.810, 20.320, 75.120 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 0.980 |
R-factor | 0.106 |
Rwork | 0.105 |
R-free | 0.12400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ijv |
RMSD bond length | 0.019 |
RMSD bond angle | 1.821 |
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 | 1.020 |
High resolution limit [Å] | 0.980 | 2.110 | 0.980 |
Rmerge | 0.072 | 0.055 | 0.209 |
Number of reflections | 16514 | ||
<I/σ(I)> | 27 | ||
Completeness [%] | 95.2 | 98.7 | 69.5 |
Redundancy | 6.1 | 6.4 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 293 | ISO-PROPANOL, SODIUM CITRATE, HEPES-NA, pH 7.5, vapor diffusion, temperature 293K |