5UW6
PCY1 in Complex with Follower Peptide and Covalent Inhibitor ZPP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-31 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 1 |
| Unit cell lengths | 65.508, 85.456, 138.123 |
| Unit cell angles | 87.60, 78.17, 89.38 |
Refinement procedure
| Resolution | 45.200 - 3.300 |
| R-factor | 0.17473 |
| Rwork | 0.172 |
| R-free | 0.21969 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.475 |
| Data reduction software | XDS |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.200 | 3.311 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Number of reflections | 43560 | 423 |
| <I/σ(I)> | 10.2 | 5 |
| Completeness [%] | 98.9 | 99.5 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 282 | 20% PEG 8,000, 0.1 M calcium acetate, 0.1 M sodium cacodylate pH 6.5, 10 mg/mL protein, Protein was preincubated with 1 mm ZPP and 1 mM PSA1 [27-32] |
