5UZW
PCY1 G696Insertion Variant in Complex with Follower Peptide and the 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 | 2015-03-14 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 |
| Unit cell lengths | 65.001, 85.325, 137.871 |
| Unit cell angles | 87.74, 78.53, 89.64 |
Refinement procedure
| Resolution | 45.700 - 2.820 |
| R-factor | 0.22881 |
| Rwork | 0.227 |
| R-free | 0.26965 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.445 |
| 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] | 45.700 | 2.829 |
| High resolution limit [Å] | 2.820 | 2.820 |
| Number of reflections | 68702 | 704 |
| <I/σ(I)> | 11.1 | 3.3 |
| Completeness [%] | 98.3 | 98.1 |
| Redundancy | 4.3 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 282 | 18% PEG 8,000, 0.2 M calcium acetate, 0.1 M sodium cacodylate pH 6.5, 12 mg/mL Protein, Protein was preincubated with 1 mM ZPP and 1 mM PSA1 [27-32] |
