2BLU
Thaumatin After A High Dose X-Ray "Burn"
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-12-18 |
| Detector | ADSC CCD |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 57.780, 57.780, 150.090 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.000 - 1.400 |
| R-factor | 0.127 |
| Rwork | 0.125 |
| R-free | 0.15500 |
| Structure solution method | OTHER |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.652 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.490 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.040 | 0.300 |
| Number of reflections | 93941 | |
| <I/σ(I)> | 15.38 | 3.35 |
| Completeness [%] | 98.2 | 97.2 |
| Redundancy | 2.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.9 M SODIUM/POTASSIUM TARTRATE, 0.1 M HEPES, PH 7.3, 15 % GLYCEROL |
