1PUO
Crystal structure of Fel d 1- the major cat allergen
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I711 |
Synchrotron site | MAX II |
Beamline | I711 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2002-09-14 |
Detector | MARRESEARCH |
Wavelength(s) | 1.13 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.290, 51.539, 67.725 |
Unit cell angles | 90.00, 95.27, 90.00 |
Refinement procedure
Resolution | 30.000 * - 1.850 |
R-factor | 0.20275 |
Rwork | 0.201 |
R-free | 0.23900 * |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.270 * |
Data reduction software | MOSFLM |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | SOLVE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 * | 1.950 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.089 * | 0.460 * |
Total number of observations | 25113 * | |
Number of reflections | 69889 * | |
<I/σ(I)> | 9.7 | 2.5 |
Completeness [%] | 98.4 | 99.7 |
Redundancy | 2.8 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 4 * | MPD, sodium acetate, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 4 * | MPD, sodium acetate, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 7.5 (mg/ml) | |
2 | 1 | reservoir | Tris-HCl | 20 (mM) | pH7.5 |