4K7G
Crystal structure of a 3-hydroxyproline dehydratse from agrobacterium vitis, target efi-506470, with bound pyrrole 2-carboxylate, ordered active site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-06 |
| Detector | RAYONIX 225 HE |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 122.584, 122.584, 167.593 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.981 - 2.000 |
| R-factor | 0.1379 |
| Rwork | 0.136 |
| R-free | 0.16600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tm0 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.311 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.520 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.170 | 0.836 |
| Number of reflections | 86628 | |
| <I/σ(I)> | 11.6 | 3.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.8 | 13.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | sitting drop vapor diffusion | 4.6 | 298 | Protein (10 mM Tris, 20 mM pyrrole 2-carboxylate, TEV Treated, Cleavage Unverified); Reservoir (0.1 M Sodium Acetate Trihydrate, 1 M di-Ammonium Hydrogen citrate (MCSG4 C6)); Cryoprotection (Reservoir+20% glycerol), pH 4.6, sitting drop vapor diffusion, temperature 298K |
