1VC9
Crystal Structure of a T.thermophilus HB8 Ap6A hydrolase E50Q mutant-Mg2+-ATP complex
Experimental procedure
| Experimental method | MAD |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-11-24 |
| Detector | RIGAKU RAXIS VII |
| Wavelength(s) | 1.5418, 0.9792, 0.9798, 0.9819 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.900, 55.121, 113.869 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.800 - 2.300 |
| R-factor | 0.216 |
| Rwork | 0.216 |
| R-free | 0.25200 |
| Structure solution method | MAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.041 | 0.132 |
| Number of reflections | 14008 | |
| <I/σ(I)> | 45.5 | 19.7 |
| Completeness [%] | 99.7 | 99.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1M Tris-HCl, 5mM MgCl2, 0.2M NaCl, 25%(w/v) PEG 3350, 4mM Ap6A, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 8.5 |
