2VI1
Atomic resolution (1.04 A) structure of purified thaumatin I grown in sodium D-tartrate at 22 C.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X6A |
Synchrotron site | NSLS |
Beamline | X6A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-08-23 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.939, 54.304, 70.808 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 16.720 - 1.040 |
R-factor | 0.129 |
Rwork | 0.128 |
R-free | 0.14000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1KWN |
RMSD bond length | 0.012 |
RMSD bond angle | 1.560 |
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 | 1.060 |
High resolution limit [Å] | 1.040 | 1.040 |
Rmerge | 0.050 | 0.700 |
Number of reflections | 93952 | |
<I/σ(I)> | 36.1 | 2.2 |
Completeness [%] | 99.0 | 97.7 |
Redundancy | 7.2 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 7.1 | 295 | MICROBATCH METHOD; PROTEIN AT 45 MG/ML IN 10MM SODIUM PHOSPHATE WITH 0.25M SODIUM D-TARTRATE (PH=7.1) AND 10% (V/V) GLYCEROL; CRYSTALS GROWN AT 22 C |