3DGL
1.8 A Crystal Structure of a Non-biological Protein with Bound ATP in a Novel Bent Conformation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Temperature [K] | 143 |
Detector technology | IMAGE PLATE |
Collection date | 2007-10-15 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 73.702, 73.702, 54.760 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.000 - 1.800 |
R-factor | 0.173 |
Rwork | 0.172 |
R-free | 0.20000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.423 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.4.0066) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 1.860 |
High resolution limit [Å] | 1.800 | 3.870 | 1.800 |
Rmerge | 0.069 | 0.031 | 0.445 |
Number of reflections | 16220 | ||
<I/σ(I)> | 15.5 | ||
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 12.9 | 12.7 | 12.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | sitting drop vapor diffusion | 8.5 | 298 | 0.1 M sodium phosphate, 0.25 M sodium citrate, 0.3 M sodium chloride, 23% polyethylene glycol 400, 0.2 M ammonium acetate, pH 8.5, sitting drop vapor diffusion, temperature 298K |