3VCE
Thaumatin by LB based Hanging Drop Vapour Diffusion after 18.1 MGy X-Ray dose at ESRF ID29 beamline (Best 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 | 57.977, 57.977, 150.579 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.940 - 2.300 |
| R-factor | 0.18442 |
| Rwork | 0.182 |
| R-free | 0.23440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ald |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.727 |
| 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] | 54.105 | 45.936 | 1.580 |
| High resolution limit [Å] | 1.500 | 4.740 | 1.500 |
| Rmerge | 0.038 | 0.751 | |
| Number of reflections | 12099 | ||
| <I/σ(I)> | 18.3 | 15.3 | 1 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 14.1 | 12.6 | 14.1 |
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 |
