5IOR
Flavin-dependent thymidylate synthase in complex with FAD and 2'-deoxyuridine-5'-monosulfate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-10-07 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.03320 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 109.679, 109.679, 119.864 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 80.920 - 1.950 |
R-factor | 0.16341 |
Rwork | 0.162 |
R-free | 0.19148 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gt9 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.342 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 80.920 |
High resolution limit [Å] | 1.950 |
Number of reflections | 27043 |
<I/σ(I)> | 20.4 |
Completeness [%] | 99.7 |
Redundancy | 14.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.6 | 293.15 | 7% PEG 4K, 100 mM NaCl, 100 mM Na/K phosphate, pH 6.6 |