5GR9
Crystal structure of PXY-TDIF/CLE41
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-03-09 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 93.668, 93.668, 228.709 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.905 - 2.767 |
| R-factor | 0.1954 |
| Rwork | 0.193 |
| R-free | 0.24080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mn8 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.339 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.770 | 2.770 |
| Number of reflections | 26768 | |
| <I/σ(I)> | 15.5 | |
| Completeness [%] | 99.7 | |
| Redundancy | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 291 | 16% w/v Polyethylene glycol 3350, 2% v/v Tacsimate pH 5.0, 0.1 M Sodium citrate tribasic dihydrate pH 5.5 |
