3I0E
Crystal structure of GTB C80S/C196S + H-antigen
Experimental procedure
| Experimental method | Molecular Replacement |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-002 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2005-04-27 |
| Detector | RIGAKU RAXIS IV++ |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 52.511, 148.857, 79.679 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.920 - 1.810 |
| R-factor | 0.17571 |
| Rwork | 0.173 |
| R-free | 0.22232 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lz7 |
| RMSD bond length | 0.025 |
| RMSD bond angle | 1.931 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK (9.1SSI) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.920 | 19.920 | 1.870 |
| High resolution limit [Å] | 1.810 | 3.890 | 1.810 |
| Rmerge | 0.074 | 0.038 | 0.317 |
| Number of reflections | 27621 | ||
| <I/σ(I)> | 31.9 | 4.1 | |
| Completeness [%] | 95.6 | 91.7 | 93.9 |
| Redundancy | 4.55 | 4.81 | 4.22 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 279.15 | 35mM sodium acetate pH 4.6, 45 mM ADA, 30mM sodium chloride, 3-4 mM magnesium chloride, 3-3.5% PEG 4000, vapor diffusion, hanging drop, temperature 279.15K |
