2Z8N
Structural basis for the catalytic mechanism of phosphothreonine lyase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-12-26 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.030, 54.920, 90.730 |
Unit cell angles | 90.00, 92.61, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.800 |
Rwork | 0.212 |
R-free | 0.23800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2z8o |
RMSD bond length | 0.006 |
RMSD bond angle | 1.678 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.040 | 0.175 |
Number of reflections | 38881 | |
<I/σ(I)> | 30.66 | 9.8 |
Completeness [%] | 98.8 | 97.1 |
Redundancy | 4.5 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 20% PEG 3350, 100mM Tris, 0.2mM ammonium sulfate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |