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 |