3F91
Structural Data for Human Active Site Mutant Enzyme Complexes
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-06-26 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 |
| Unit cell lengths | 84.629, 84.629, 77.920 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.700 - 1.900 |
| R-factor | 0.18211 |
| Rwork | 0.179 |
| R-free | 0.23756 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1u72 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 2.060 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.690 | 1.720 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.048 | 0.075 |
| Number of reflections | 20592 | |
| <I/σ(I)> | 28.1 | 9 |
| Completeness [%] | 79.4 | 20 |
| Redundancy | 3.9 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 287 | 100 mM potassium phosphate, pH 6.9, 60% ammonium sulfate, 3% ethanol, VAPOR DIFFUSION, HANGING DROP, temperature 287K |
