4X22
Crystal structure of Leptospira Interrogans Triosephosphate Isomerase (LiTIM)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-11-02 |
| Detector | ADSC QUANTUM 1 |
| Wavelength(s) | 1.54180 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 103.020, 103.020, 66.130 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.610 - 2.084 |
| R-factor | 0.1565 |
| Rwork | 0.155 |
| R-free | 0.19101 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.892 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.610 | 6.590 |
| High resolution limit [Å] | 2.084 | 2.080 |
| Rmerge | 0.220 | |
| Number of reflections | 23354 | |
| <I/σ(I)> | 25.9 | 8.9 |
| Completeness [%] | 95.9 | 97 |
| Redundancy | 8.9 | 8.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | PEG6000, calcium chloride, EDTA, HEPES buffer, Sodium azide |
