2PE7
Thaumatin from Thaumatococcus Danielli in complex with tris-dipicolinate Europium
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 | 2004-12-25 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.776211, 0.920134 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 57.550, 57.550, 149.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.680 - 1.460 |
R-factor | 0.153 |
Rwork | 0.152 |
R-free | 0.17600 |
Structure solution method | MAD |
Starting model (for MR) | 1rqw |
RMSD bond length | 0.012 |
RMSD bond angle | 1.416 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | SHARP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.596 | 45.600 | 1.530 |
High resolution limit [Å] | 1.456 | 4.600 | 1.460 |
Rmerge | 0.074 | 0.051 | 0.390 |
Total number of observations | 19595 | 47838 | |
Number of reflections | 44812 | ||
<I/σ(I)> | 5.5 | 8.1 | 1.1 |
Completeness [%] | 99.5 | 99.9 | 96.7 |
Redundancy | 12.3 | 12 | 7.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.7 M Sodium Potassium Tatrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.7 M Sodium Potassium Tatrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |