2R6C
Crystal Form BH2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-02-26 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9800 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 228.775, 228.775, 192.984 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 4.000 |
| R-factor | 0.32139 |
| Rwork | 0.320 |
| R-free | 0.34375 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.659 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 4.140 |
| High resolution limit [Å] | 4.000 | 4.000 |
| Number of reflections | 95194 | |
| <I/σ(I)> | 19.5 | 3.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 4.8 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 298 | 0.5M Sodium Succinate, pH 6.5, VAPOR DIFFUSION, temperature 298K |
