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 |