3V87
Thaumatin by Classical Hanging Drop Vapour Diffusion after 1.81 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 | 57.870, 57.870, 150.204 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.480 - 2.300 |
R-factor | 0.1848 |
Rwork | 0.182 |
R-free | 0.24772 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ald |
RMSD bond length | 0.021 |
RMSD bond angle | 1.804 |
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] | 54.001 | 45.840 | 1.580 |
High resolution limit [Å] | 1.500 | 4.740 | 1.500 |
Rmerge | 0.038 | 0.095 | |
Number of reflections | 11933 | ||
<I/σ(I)> | 47.7 | 14.2 | 7.8 |
Completeness [%] | 98.7 | 99.5 | 97.8 |
Redundancy | 14.2 | 12 | 14.7 |
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 |