3U55
Crystal structure (Type-2) 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 | 2011-02-10 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 44.100, 155.390, 78.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.420 - 1.900 |
| R-factor | 0.18601 |
| Rwork | 0.184 |
| R-free | 0.22924 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u54 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.992 |
| 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] | 42.420 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.042 | 0.191 |
| Number of reflections | 21450 | |
| <I/σ(I)> | 24.1 | 8 |
| Completeness [%] | 98.9 | 97.5 |
| Redundancy | 5.3 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH UNDEROIL | 4.6 | 293 | 0.2M AMMONIUM SULPHATE, 0.1M SODIUM ACETATE TRIHYDRATE, 30% PEG MONOMETHYL ETHER, pH 4.6, MICROBATCH UNDEROIL, temperature 293K |
