3U54
Crystal structure (Type-1) of SAICAR synthetase from Pyrococcus horikoshii OT3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-08-15 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 |
| Unit cell lengths | 95.420, 95.420, 148.631 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 55.260 - 2.350 |
| R-factor | 0.23746 |
| Rwork | 0.235 |
| R-free | 0.28632 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yzl |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.285 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.260 | 2.480 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.082 | 0.400 |
| Number of reflections | 21057 | |
| <I/σ(I)> | 13.2 | 3.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.1 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH UNDEROIL | 7.5 | 293 | 0.05M cadmium sulfate hydrate, 0.1M HEPES buffer, 1.0M sodium acetate trihydrate, 40%(w/v) 1,4-butanediol, pH 7.5, MICROBATCH UNDEROIL, temperature 293K |
