4O86
SAICAR synthetase (Type-2) in complex with ADP and CDP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-11-26 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 44.250, 155.540, 78.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.200 - 2.200 |
| R-factor | 0.1978 |
| Rwork | 0.195 |
| R-free | 0.24530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u55 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.518 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | PHASER (2.3.0) |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.200 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.075 | 0.319 |
| Number of reflections | 14173 | |
| <I/σ(I)> | 17.7 | 5.6 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 5.7 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Microbatch Underoil | 4.6 | 293 | 0.2M Ammonium sulfate, 0.1M Sodium acetate trihydrate, 30% w/v PEG monomethyl ether 2000, pH 4.6, Microbatch Underoil, temperature 293K |
