3QHT
Crystal Structure of the Monobody ySMB-1 bound to yeast SUMO
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-18 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 59.637, 175.462, 52.830 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.400 |
| R-factor | 0.22558 |
| Rwork | 0.223 |
| R-free | 0.27158 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 1FNA AND 2EKE |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.864 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.457 |
| High resolution limit [Å] | 2.400 | 2.395 |
| Rmerge | 0.085 | 0.643 |
| Number of reflections | 22586 | |
| <I/σ(I)> | 18.9 | 2.15 |
| Completeness [%] | 100.0 | 96.29 |
| Redundancy | 7.1 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 292 | 14% PEG8000, 16% glycerol, pH 8.0, VAPOR DIFFUSION, temperature 292K |
