4BAL
Thaumatin from Thaumatococcus daniellii structure in complex with the europium tris-hydroxymethyltriazoledipicolinate complex at 1.30 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 315r |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 57.988, 57.988, 150.184 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.994 - 1.298 |
| R-factor | 0.1362 |
| Rwork | 0.135 |
| R-free | 0.15740 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4bar |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.268 |
| Data reduction software | XDS (JANUARY 30 2009) |
| Data scaling software | SCALA (3.316) |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.900 | 1.370 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.050 | 0.450 |
| Number of reflections | 64239 | |
| <I/σ(I)> | 12.5 | 1.7 |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 6.6 | 6.5 |
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 SODIUM POTASSIUM TARTRATE, 0.0006 M PROTEIN, 0.010 M LANTHANIDE COMPLEX, 293 K, 5 DAYS |
