4DAC
Crystal Structure of Computationally Designed Protein P6d
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-02-04 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 6 |
| Unit cell lengths | 63.669, 63.669, 40.401 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 9.940 - 2.100 |
| Rwork | 0.218 |
| R-free | 0.27400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.900 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.110 |
| High resolution limit [Å] | 2.070 | 5.620 | 2.070 |
| Rmerge | 0.166 | 0.167 | 0.277 |
| Number of reflections | 5713 | ||
| <I/σ(I)> | 8.7 | ||
| Completeness [%] | 98.6 | 98.4 | 96.2 |
| Redundancy | 8.4 | 7.8 | 8.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 0.17M ammonium acetate, 0.085 tri-sodium citrate dihydrate, 25.5% v/v PEG 4000, 15% glycerol, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
