3TSH
Crystal structure of Phl p 4, a grass pollen allergen with glucose dehydrogenase activity
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-20 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 117.077, 117.077, 202.090 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.500 - 1.900 |
| R-factor | 0.164 |
| Rwork | 0.162 |
| R-free | 0.19000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fw9 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.513 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER (MR) |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.500 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.059 | 0.381 |
| Number of reflections | 64954 | |
| <I/σ(I)> | 11.3 | 1.9 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 13.8 | 13.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 293 | 1.1 M Sodium malonate pH 7.0, 0.1 M HEPES pH 7.0, 0.5% v/v Jeffamine ED-2001(R) pH 7.0 , VAPOR DIFFUSION, SITTING DROP, temperature 293K |
