4LNJ
Structure of Escherichia coli Threonine Aldolase in Unliganded Form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-07-23 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 76.620, 100.790, 176.080 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.350 - 2.100 |
| R-factor | 0.209 |
| Rwork | 0.209 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1lw5 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.300 |
| 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] | 38.200 | 2.280 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.111 | 0.311 |
| Number of reflections | 32123 | |
| <I/σ(I)> | 15.9 | 8.2 |
| Completeness [%] | 91.8 | 88.6 |
| Redundancy | 9.3 | 12.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 603 uM of enzyme, 0.2 M magnesium chloride hexahydrate, 0.1 M HEPES, 30% PEG 400, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
