1TD4
Crystal structure of VSHP_BPP21 in space group H3 with high resolution.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X9B |
| Synchrotron site | NSLS |
| Beamline | X9B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | H 3 |
| Unit cell lengths | 53.909, 53.909, 77.456 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.000 - 1.500 |
| R-factor | 0.1261 |
| R-free | 0.19580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1td3 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 0.028 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.084 | 0.461 |
| Number of reflections | 13405 | |
| <I/σ(I)> | 19.1 | 2.4 |
| Completeness [%] | 99.8 | 98.4 |
| Redundancy | 10.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | 295 | Na Acetate, PEG-MME 5000, MgCl2, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K, pH 4.50 |
