Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-03-22 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 42 |
Unit cell lengths | 79.760, 79.760, 90.560 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.200 - 2.500 |
R-factor | 0.18938 |
Rwork | 0.187 |
R-free | 0.24288 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3p7g |
RMSD bond length | 0.009 |
RMSD bond angle | 1.176 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.091 | 0.435 |
Number of reflections | 19624 | |
<I/σ(I)> | 14.9 | 3.4 |
Completeness [%] | 99.6 | 99.9 |
Redundancy | 4.2 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 293 | Protein: 10mg/ml Langerin in 10 mM Tris/HCl pH 7.5; Reservoir: 0.1 M Na-cacodylate, 13 %(w/v) PEG4000, 0.1 M MgCl2, 5mM CaCl2, VAPOR DIFFUSION, SITTING DROP, temperature 293K |