4F87
X-ray Crystal Structure of PlyCB
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-BM |
| Synchrotron site | APS |
| Beamline | 17-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-04-03 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.4 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 130.968, 130.968, 130.968 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.000 - 1.400 |
| R-factor | 0.1873 |
| Rwork | 0.187 |
| R-free | 0.19740 |
| Structure solution method | S-SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.100 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | autoSHARP |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.056 | 0.580 |
| Number of reflections | 71861 | |
| Completeness [%] | 98.4 | 100 |
| Redundancy | 7.1 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 25% MPD, 0.1 M Hepes, 0.2 M Sodium citrate, pH 6.0, VAPOR DIFFUSION, HANGING DROP | |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 25% MPD, 0.1 M Hepes, 0.2 M Sodium citrate, pH 6.0, VAPOR DIFFUSION, HANGING DROP |
