3AH9
Crystal structure of (Pro-Pro-Gly)9 at 1.1 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-6A |
| Synchrotron site | Photon Factory |
| Beamline | BL-6A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2004-06-25 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 26.416, 25.990, 80.241 |
| Unit cell angles | 90.00, 90.03, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.080 |
| Rwork | 0.165 |
| R-free | 0.19060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cuo |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.030 |
| 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] | 10.000 | 1.120 |
| High resolution limit [Å] | 1.080 | 1.080 |
| Rmerge | 0.062 | 0.254 |
| Number of reflections | 46590 | |
| <I/σ(I)> | 7.1 | |
| Completeness [%] | 98.9 | 100 |
| Redundancy | 3.5 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 11.3% PEG 200, 5%(v/v) acetic acid, 0.5%(w/v) sodium azide, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
