4XBS
2-deoxyribose-5-phosphate aldolase mutant - E78K
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2014-06-06 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 97.031, 97.031, 118.452 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.572 - 2.170 |
R-factor | 0.1576 |
Rwork | 0.156 |
R-free | 0.18320 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | Coot |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.250 |
High resolution limit [Å] | 2.170 | 4.670 | 2.170 |
Rmerge | 0.160 | 0.061 | 0.745 |
Rmeas | 0.165 | 0.063 | 0.771 |
Rpim | 0.041 | 0.016 | 0.196 |
Total number of observations | 477835 | ||
Number of reflections | 30632 | ||
<I/σ(I)> | 6.1 | ||
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 15.6 | 14.8 | 15.3 |
CC(1/2) | 0.999 | 0.923 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 291.15 | ammonium acetate, sodium acetate |