4RJY
Crystal structure of E. coli L-Threonine Aldolase in complex with a non-covalently uncleaved bound L-serine substrate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-11-22 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5417 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 77.160, 104.880, 84.910 |
Unit cell angles | 90.00, 92.49, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.100 |
R-factor | 0.2787 |
Rwork | 0.212 |
R-free | 0.27870 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.507 |
Data reduction software | d*TREK (9.2SSI) |
Data scaling software | d*TREK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 32.800 | 32.800 | 2.180 |
High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
Rmerge | 0.093 | 0.039 | 0.268 |
Total number of observations | 26051 | 22938 | |
Number of reflections | 77165 | ||
<I/σ(I)> | 8.4 | 21.1 | 3.8 |
Completeness [%] | 98.0 | 97.9 | 95.4 |
Redundancy | 2.91 | 3.04 | 2.77 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | Freshly dialyzed eTA (22 mg/mL in 20 mM potassium phosphate, pH 7.0) was incubated with L-serine (6.25 mM), precipitant solution contains 0.1 M sodium citrate tribasic dihydrate, pH 5.6, 20% v/v 2-propoanol, 20% v/v PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 298K |