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 |