4LNL
Structure of Escherichia coli Threonine Aldolase in Complex with Allo-Thr
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-07-24 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 76.400, 100.890, 176.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.050 - 2.100 |
| R-factor | 0.182 |
| Rwork | 0.182 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lw5 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.600 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | CaspR |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.800 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.109 | 0.305 |
| Number of reflections | 37247 | |
| <I/σ(I)> | 9.8 | 4.6 |
| Completeness [%] | 92.9 | 94.9 |
| Redundancy | 4.6 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 480 uM of enzyme, 28 mM L-threonine, 0.2 M magnesium chloride hexahydrate, 0.1 M HEPES, 30% PEG 400, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
