1KTJ
X-ray Structure Of Der P 2, The Major House Dust Mite Allergen
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Detector technology | CCD |
| Collection date | 1999-05-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9791, 0.9784, 0.9801 |
| Spacegroup name | P 2 2 21 |
| Unit cell lengths | 71.692, 108.747, 91.971 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.150 |
| R-factor | 0.209 * |
| Rwork | 0.210 |
| R-free | 0.27400 * |
| Structure solution method | MAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.023 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.170 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.053 | 0.384 |
| Number of reflections | 19747 | |
| <I/σ(I)> | 27 | 3.2 |
| Completeness [%] | 99.2 | 77.3 |
| Redundancy | 6.1 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | Peg 4000, sodium citrate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | Peg 4000, sodium citrate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | reservoir | ammonium sulfate | 1.8 (M) | |
| 3 | 1 | reservoir | sodium citrate | 100 (mM) | pH4.6 |
| 4 | 1 | reservoir | PEG4000 | 35 (%(w/v)) | |
| 5 | 1 | reservoir | spermine | 5 (mM) | or 35%(w/v) beta-octylglucosite |
| 6 | 1 | reservoir | sodium citrate | 100 (mM) | pH4.6 |
