3VJQ
Recombinant thaumatin at pH 8.0 with hydrogen atoms
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-12 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.636, 63.528, 71.771 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.000 |
| R-factor | 0.1214 |
| Rwork | 0.111 |
| R-free | 0.15510 |
| Structure solution method | AB INITIO PHASING |
| Starting model (for MR) | 3vhf |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.031 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXS |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.020 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmerge | 0.044 | 0.371 |
| Number of reflections | 107219 | |
| <I/σ(I)> | 46.7486 | 3.115 |
| Completeness [%] | 98.8 | 85.7 |
| Redundancy | 4.7 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 50mM Tris-HCl buffer, 15% PEG3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
