3N8T
Native structure of TK1436, a GH57 branching enzyme from hyperthermophilic archaeon Thermococcus kodakaraensis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE W01B-MX2 |
Synchrotron site | LNLS |
Beamline | W01B-MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-10 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.4586 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 70.424, 78.953, 134.222 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 68.050 - 2.400 |
R-factor | 0.18456 |
Rwork | 0.181 |
R-free | 0.24181 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ufa |
RMSD bond length | 0.021 |
RMSD bond angle | 1.806 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 68.100 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.090 | 0.520 |
Number of reflections | 29790 | |
<I/σ(I)> | 12.6 | 2.6 |
Completeness [%] | 99.3 | 98.7 |
Redundancy | 4.2 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 100 mM sodium acetate (pH 5.5), 15% (w/v) PEG 8000, 10% (v/v) PEG 400 and 200 mM sodium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 291K |