1G1R
Crystal structure of P-selectin lectin/EGF domains complexed with SLeX
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1996-01-01 |
Detector | RIGAKU RAXIS II |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 81.140, 60.520, 91.440 |
Unit cell angles | 90.00, 103.28, 90.00 |
Refinement procedure
Resolution | 14.000 - 3.400 |
R-factor | 0.227 |
Rwork | 0.227 |
R-free | 0.32200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.530 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 14.000 | 3.460 |
High resolution limit [Å] | 3.400 | 3.400 |
Rmerge | 0.072 | 0.322 |
Total number of observations | 44334 * | |
Number of reflections | 11667 | |
<I/σ(I)> | 29 | |
Completeness [%] | 97.8 | 100 |
Redundancy | 3.79 | 3.79 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 8.5 | 18 * | Tris-HCl, NaCl, CaCl2, 2-methyl-2,4-pentanediol, PEG 6000, pH 8.5, VAPOR DIFFUSION, HANGING DROP at 291K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | drop | Tris-HCl | 100 (mM) | |
3 | 1 | drop | 150 (mM) | ||
4 | 1 | drop | 12 (mM) | ||
5 | 1 | drop | MPD | 10 (%(v/v)) | |
6 | 1 | drop | PEG6000 | 10 (%(w/v)) |