2YYM
Crystal structure of the mutant of HpaB (T198I, A276G, and R466H) complexed with FAD and 4-hydroxyphenylacetate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL45XU |
| Synchrotron site | SPring-8 |
| Beamline | BL45XU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-02-13 |
| Detector | RIGAKU RAXIS V |
| Wavelength(s) | 1.0000 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 91.405, 98.842, 130.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.180 - 1.700 |
| Rwork | 0.170 |
| R-free | 0.18800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yyk |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.180 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.048 | 0.148 |
| Number of reflections | 58485 | |
| <I/σ(I)> | 34.6 | |
| Redundancy | 8.1 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 1.6M NH4-dihydrogenphosphate, 0.08M TRIS-HCl, 20% Glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
