3AI6
Triple-helical structure of (D-Pro-D-Pro-Gly)9 at 1.1 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-12-08 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 26.362, 25.920, 80.158 |
| Unit cell angles | 90.00, 90.03, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.100 |
| Rwork | 0.153 |
| R-free | 0.18290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cuo |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.028 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.060 |
| High resolution limit [Å] | 1.040 | 1.040 |
| Rmerge | 0.051 | 0.410 |
| Number of reflections | 50349 | |
| <I/σ(I)> | 10.19 | 2.72 |
| Completeness [%] | 96.1 | 89.9 |
| Redundancy | 4.7 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 277 | 11% PEG 200, 0.1M acetate buffer, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
