3K5H
Crystal structure of carboxyaminoimidazole ribonucleotide synthase from asperigillus clavatus complexed with ATP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-14 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.900, 134.400, 99.600 |
| Unit cell angles | 90.00, 107.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.100 |
| R-factor | 0.198 |
| Rwork | 0.196 |
| R-free | 0.26100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | non-published structure (in-house) from yeast |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.087 | 0.309 |
| Number of reflections | 104348 | |
| <I/σ(I)> | 9.6 | 2.2 |
| Completeness [%] | 93.6 | 86.5 |
| Redundancy | 4 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 298 | 18% PEG-5000 monomethylether, 10 mM ATP, 40 mM MgCl2, 200 mM NaCl, 100mM CHES, pH 9, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
