3F5V
C2 Crystal form of mite allergen DER P 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-05-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0723 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 95.196, 84.070, 75.437 |
| Unit cell angles | 90.00, 123.81, 90.00 |
Refinement procedure
| Resolution | 35.810 - 1.360 |
| R-factor | 0.1589 |
| Rwork | 0.158 |
| R-free | 0.18338 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2as8 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.732 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0062) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.380 |
| High resolution limit [Å] | 1.360 | 1.360 |
| Rmerge | 0.069 | 0.551 |
| Number of reflections | 103499 | |
| <I/σ(I)> | 25.3 | 2.1 |
| Completeness [%] | 98.5 | 91.5 |
| Redundancy | 3.6 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.75 | 3.5MG/ML DER P1 NON GLYCOSYLATED IN 50MM NA ACETATE, 0.005% AZ, LOW SALT, PH 5.75, SLOW EVAPORATION, TEMPERATURE 277K |
