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 |