3GP7
Staphylococcal Enterotoxin B mutant N23YK97SK98S
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2007-11-04 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.194, 106.280, 128.822 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.120 - 1.900 |
| R-factor | 0.187 |
| Rwork | 0.183 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3seb |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.600 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.120 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.092 | 0.382 |
| Number of reflections | 49545 | |
| <I/σ(I)> | 25.9 | 3.32 |
| Completeness [%] | 99.5 | 99.5 |
| Redundancy | 6.9 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 18% (w/v) PEG 3350, 0.02% Na azide, pH8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
