2FCQ
X-ray Crystal Structure of a Chemically Synthesized Ubiquitin with a Cubic Space Group
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-11-23 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 43 3 2 |
| Unit cell lengths | 105.059, 105.059, 105.059 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 3.300 |
| R-factor | 0.24617 |
| Rwork | 0.241 |
| R-free | 0.28563 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yiw CHAIN B |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.313 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.9999) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.420 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.072 | 0.660 |
| Number of reflections | 3300 | |
| <I/σ(I)> | 23.9 | 3.2 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 11.9 | 12.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.75 | 298 | by mixing 2 ul of ubiquitin solution (20 mg/ml) and 0.5 ul of crystallization buffer solution. The crystallization buffer was prepared by mixing 3ml of HEPES buffer (0.1M), 3ml of poly(ethylene glycol) 3350 (25%, w/v), and 0.2ml of 1M cadmium acetate, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
