5T25
Kinetic, Spectral and Structural Characterization of the Slow Binding Inhibitor Acetopyruvate with Dihydrodipicolinate Synthase from Escherichia coli.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-07-10 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54178 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 136.647, 56.385, 101.530 |
Unit cell angles | 90.00, 127.62, 90.00 |
Refinement procedure
Resolution | 26.806 - 1.991 |
R-factor | 0.1608 |
Rwork | 0.158 |
R-free | 0.21140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yxc |
RMSD bond length | 0.007 |
RMSD bond angle | 0.891 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 81.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.540 | |
Number of reflections | 193325 | |
<I/σ(I)> | 9.8 | 1.911 |
Completeness [%] | 100.0 | 100 |
Redundancy | 4.5 | 3.1 |
CC(1/2) | 0.809 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 293 | 20% PEG3350 200mM Sodium Tartarate 14.7 mM HEPES pH 7.1 |