2VI4
Atomic resolution (1.10 A) structure of purified thaumatin I grown in sodium DL-tartrate at 6 C.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID15B |
Synchrotron site | ESRF |
Beamline | ID15B |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2007-09-20 |
Detector | MARRESEARCH |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 57.921, 57.921, 149.946 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.750 - 1.100 |
R-factor | 0.126 |
Rwork | 0.125 |
R-free | 0.14000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1KWN |
RMSD bond length | 0.011 |
RMSD bond angle | 1.569 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.120 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmerge | 0.060 | 0.630 |
Number of reflections | 104165 | |
<I/σ(I)> | 24.2 | 2.1 |
Completeness [%] | 99.7 | 100 |
Redundancy | 8.2 | 8.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7.1 | 279 | MICROBATCH METHOD; PROTEIN AT 45 MG/ML IN 10MM SODIUM PHOSPHATE WITH 0.25M SODIUM DL-TARTRATE (PH=7.1) AND 10% (V/V) GLYCEROL; CRYSTALS GROWN AT 6 C |
1 | MICROBATCH | 7.1 | 279 | MICROBATCH METHOD; PROTEIN AT 45 MG/ML IN 10MM SODIUM PHOSPHATE WITH 0.25M SODIUM DL-TARTRATE (PH=7.1) AND 10% (V/V) GLYCEROL; CRYSTALS GROWN AT 6 C |