2B2K
structure of Y104F IDI-1 mutant in complex with EIPP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF NONIUS |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-05-10 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.935, 71.477, 91.955 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 1.970 |
| R-factor | 0.2152 |
| Rwork | 0.199 |
| R-free | 0.24520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hx3 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.021 |
| Data reduction software | MATHKL |
| Data scaling software | MATHKL |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.030 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.055 | 0.331 |
| Number of reflections | 25339 | |
| <I/σ(I)> | 16.2 | |
| Completeness [%] | 99.1 | 93.4 |
| Redundancy | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | PEG 2000, MANGANESE CHLORIDE, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
