3AH5
Crystal Structure of flavin dependent thymidylate synthase ThyX from helicobacter pylori complexed with FAD and dUMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2009-05-19 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 0.97898 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 221.920, 49.430, 143.020 |
Unit cell angles | 90.00, 98.84, 90.00 |
Refinement procedure
Resolution | 55.630 - 2.500 |
Rwork | 0.194 |
R-free | 0.24600 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.334 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASES |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 55.641 | 55.640 | 2.640 |
High resolution limit [Å] | 2.500 | 7.910 | 2.500 |
Rmerge | 0.107 | 0.054 | 0.393 |
Total number of observations | 12504 | 59157 | |
Number of reflections | 53927 | ||
<I/σ(I)> | 9.8 | 1.8 | |
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 7.5 | 6.8 | 7.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | hanging drop | 7 | 298 | 2.4M ammonium sulfate, 100mM HEPES pH7.0, hanging drop, temperature 298K |