3I0J
Crystal structure of GTB C80S/C196S/C209S + 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 | 52.481, 149.506, 79.563 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.220 - 1.480 |
| R-factor | 0.20372 |
| Rwork | 0.202 |
| R-free | 0.23819 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lz7 |
| RMSD bond length | 0.027 |
| RMSD bond angle | 2.178 |
| Data scaling software | d*TREK (9.4SSI) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.890 | 19.890 | 1.530 |
| High resolution limit [Å] | 1.480 | 3.180 | 1.480 |
| Rmerge | 0.038 | 0.024 | 0.249 |
| Number of reflections | 51095 | ||
| <I/σ(I)> | 47.6 | 4.1 | |
| Completeness [%] | 97.2 | 91.5 | 99.4 |
| Redundancy | 3.67 | 4.27 | 3.39 |
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 |
