3K5I
Crystal structure of N5-carboxyaminoimidazole synthase from aspergillus clavatus in complex with ADP and 5-aminoimadazole ribonucleotide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-27 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.500, 134.200, 98.500 |
| Unit cell angles | 90.00, 105.60, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.206 |
| Rwork | 0.203 |
| R-free | 0.26900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 3K5H |
| 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 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.089 | 0.286 |
| Number of reflections | 118616 | |
| <I/σ(I)> | 7.3 | 2 |
| Completeness [%] | 91.9 | 86.4 |
| Redundancy | 2.9 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 298 | 20% PEG-5000 monomethylether, 40 mM MgCl2, 200 mM NaCl, 100 mM CHES, 10 mM ATP, 10 mM 5-aminoimidazole ribonucleotide, pH 9, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
