4GTB
T. Maritima FDTS with FAD, dUMP, and Raltitrexed.
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 | 2011-02-27 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.9809 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 110.570, 110.570, 121.730 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.090 - 1.700 |
| R-factor | 0.17155 |
| Rwork | 0.171 |
| R-free | 0.18304 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1o26 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.740 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.740 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.050 | 0.831 |
| Number of reflections | 41254 | |
| <I/σ(I)> | 21 | 2.1 |
| Completeness [%] | 99.0 | 99.9 |
| Redundancy | 6.6 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.58 | 295 | 3-6% PEG 4K (w/v), 200mM NaCl, 100 mM Na/K phosphate (pH 6.58), VAPOR DIFFUSION, HANGING DROP, temperature 295K |
