4R58
Crystal structure of computational designed leucine rich repeats DLRR_A in space group P21
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.583, 145.006, 57.700 |
| Unit cell angles | 90.00, 115.35, 90.00 |
Refinement procedure
| Resolution | 25.010 - 2.400 |
| R-factor | 0.18603 |
| Rwork | 0.184 |
| R-free | 0.23309 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.609 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (MR) |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.010 | 2.540 | 2.440 |
| High resolution limit [Å] | 2.360 | 2.440 | 2.360 |
| Number of reflections | 34180 | ||
| <I/σ(I)> | 24 | 18.7 | 6.4 |
| Completeness [%] | 96.7 | 100 | 83.7 |
| Redundancy | 5.7 | 6.2 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 22% PEG 3350, 0.1M MES, 0.2 M NaCl, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
