3VCP
The 2.2 Angstrom structure of Stc2 with proline bound in the active site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X26C |
| Synchrotron site | NSLS |
| Beamline | X26C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-17 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 97.140, 97.140, 180.080 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 38.109 - 2.200 |
| R-factor | 0.1902 |
| Rwork | 0.187 |
| R-free | 0.24220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vca |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.157 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.6_289)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.700 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.171 | 0.060 |
| Number of reflections | 25766 | |
| <I/σ(I)> | 6.9 | 2.9 |
| Completeness [%] | 98.7 | 99.56 |
| Redundancy | 5.6 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 100 mM HEPES pH 7.0, 10% PEG 3350, 10% glycerol, 25 mM hexamine cobalt, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
