5T4H
Human DPP4 in complex with ligand 34n
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-12-22 |
| Detector | RIGAKU RAXIS HTC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 118.125, 126.008, 137.546 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 92.910 - 2.610 |
| R-factor | 0.152 |
| Rwork | 0.148 |
| R-free | 0.22590 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1x70 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.150 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.15) |
| Phasing software | REFMAC |
| Refinement software | BUSTER (2.9.4) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 137.546 | 137.546 | 2.670 |
| High resolution limit [Å] | 2.610 | 11.650 | 2.610 |
| Rmerge | 0.027 | 0.494 | |
| Number of reflections | 63311 | ||
| <I/σ(I)> | 6.18 | 24.2 | 1.6 |
| Completeness [%] | 99.9 | 95.5 | 100 |
| Redundancy | 5.2 | 4.5 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.27-0.30 M sodium acetate 17-18% polyethylene glycol 3350 0.1 M tris hydrochloride pH 8.0 |
