4O84
SAICAR synthetase (Type-1) in complex with GMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-12-26 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 |
| Unit cell lengths | 94.810, 94.810, 148.051 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 54.980 - 2.090 |
| R-factor | 0.2214 |
| Rwork | 0.219 |
| R-free | 0.26930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3u54 CHAIN A |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.345 |
| 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] | 54.980 | 2.200 |
| High resolution limit [Å] | 2.090 | 2.090 |
| Rmerge | 0.062 | 0.235 |
| Number of reflections | 29399 | |
| <I/σ(I)> | 11.7 | 4.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.1 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Microbatch Underoil | 7.5 | 293 | 0.05M Cadmium sulfate hydrate, 0.1M HEPES, 1.0M sodium acetate trihydrate, 40% w/v 1,4-butanediol, pH 7.5, Microbatch Underoil, temperature 293K |
