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 |