1TD3
Crystal structure of VSHP_BPP21 in space group C2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 100.057, 57.724, 62.005 |
| Unit cell angles | 90.00, 117.09, 90.00 |
Refinement procedure
| Resolution | 44.540 - 2.370 |
| R-factor | 0.206 |
| Rwork | 0.206 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1c5e |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.000 | 2.450 |
| High resolution limit [Å] | 2.370 | 2.370 |
| Rmerge | 0.086 | 0.329 |
| Number of reflections | 12946 | |
| <I/σ(I)> | 5.1 | |
| Completeness [%] | 99.8 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 295 | Na Acetate, PEG-MME 2000, MgSO4, glycine, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
