4BAR
Thaumatin from Thaumatococcus daniellii structure in complex with the europium tris-hydroxyethyltriazoledipicolinate complex at 1.20 A resolution.
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-27 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 57.852, 57.852, 150.215 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.499 - 1.200 |
| R-factor | 0.1379 |
| Rwork | 0.137 |
| R-free | 0.15530 |
| Structure solution method | MAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.612 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | SHARP |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.830 | 1.260 |
| High resolution limit [Å] | 1.200 | 1.200 |
| Rmerge | 0.050 | 0.460 |
| Number of reflections | 78373 | |
| <I/σ(I)> | 10.4 | 1.7 |
| Completeness [%] | 98.0 | 95.8 |
| Redundancy | 9.9 | 10 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 293 | 0.1 M BIS-TRIS PROPANE PH 6.5, 0.3-0.9 M SODIUM POTASSIUM TARTRATE, 0.0006 M PROTEIN, 0.0014 M LANTHANIDE COMPLEX, 293 K, 5 DAYS |
