4GTC
T. Maritima FDTS (E144R mutant) plus FAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-27 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.9809 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.130, 117.060, 142.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.260 - 1.970 |
R-factor | 0.19543 |
Rwork | 0.193 |
R-free | 0.23573 |
Structure solution method | Rigid Body refinement |
Starting model (for MR) | 1o26 |
RMSD bond length | 0.016 |
RMSD bond angle | 1.638 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | REFMAC (5.5.0110) |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.020 |
High resolution limit [Å] | 1.970 | 1.970 |
Rmerge | 0.060 | 0.886 |
Number of reflections | 63939 | |
<I/σ(I)> | 16.4 | 1.6 |
Completeness [%] | 98.6 | 99.6 |
Redundancy | 4.2 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 50-60% PEG 200 and 100mM Tris HCL (pH 8.0), VAPOR DIFFUSION, HANGING DROP, temperature 295K |