1KWI
Crystal Structure Analysis of the Cathelicidin Motif of Protegrins
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-09-16 |
Detector | MARRESEARCH |
Wavelength(s) | 0.9791, 0.9793, 0.9717 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 51.360, 51.360, 133.677 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 23.970 - 2.190 |
R-factor | 0.229 |
Rwork | 0.229 |
R-free | 0.29100 |
Structure solution method | MAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.640 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.000 | 2.290 |
High resolution limit [Å] | 2.190 | 2.190 |
Rmerge | 0.057 * | 0.380 * |
Total number of observations | 99989 * | |
Number of reflections | 9865 * | |
<I/σ(I)> | 12.2 | |
Completeness [%] | 93.1 * | 90 * |
Redundancy | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 3.8 | 18 * | ammonium sulfate, sodium acetate, pH 3.8, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
1 | VAPOR DIFFUSION, HANGING DROP | 3.8 | 18 * | ammonium sulfate, sodium acetate, pH 3.8, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | reservoir | sodium citrate | 0.1 (M) | pH3.5-3.7 |
3 | 1 | reservoir | ammonium sulfate | 1.5 (M) |