3DZR
Thaumatin by Classical hanging drop method before high X-Ray dose on ESRF ID29 beamline
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-04-29 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9787 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 57.814, 57.814, 150.196 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.830 - 1.510 |
R-factor | 0.138 |
Rwork | 0.137 |
R-free | 0.15300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rqw |
RMSD bond length | 0.005 |
RMSD bond angle | 1.105 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.25) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 53.955 | 1.590 |
High resolution limit [Å] | 1.510 | 1.510 |
Rmerge | 0.077 | 0.105 |
Total number of observations | 45471 | |
Number of reflections | 41007 | |
<I/σ(I)> | 6.2 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.6 | 7.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 100mM ADA, 1M Na/K-tartrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |