3V8A
Thaumatin by Classical Hanging Drop Vapour Diffusion after 18.1 MGy X-Ray dose at ESRF ID29 beamline (Worst Case)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-09-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97633 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 58.201, 58.201, 151.985 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.210 - 2.300 |
| R-factor | 0.19537 |
| Rwork | 0.194 |
| R-free | 0.23207 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ald |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.805 |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 54.352 | 41.154 | 1.580 |
| High resolution limit [Å] | 1.500 | 4.740 | 1.500 |
| Rmerge | 0.035 | ||
| Number of reflections | 12214 | ||
| <I/σ(I)> | 7.2 | 17.7 | |
| Completeness [%] | 97.7 | 99.6 | 93.2 |
| Redundancy | 13.8 | 12.1 | 12.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 6 uL protein solution containing 18 mg/mL thaumatin in 100 mM ADA disodium salt buffer, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
