5T26
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 | 2015-08-15 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.54178 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 56.714, 161.492, 137.325 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.510 - 2.100 |
R-factor | 0.1703 |
Rwork | 0.168 |
R-free | 0.20710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yxc |
RMSD bond length | 0.010 |
RMSD bond angle | 1.695 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 81.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmeas | 0.142 | 0.462 |
Rpim | 0.052 | 0.236 |
Number of reflections | 35248 | 1813 |
<I/σ(I)> | 14.4 | |
Completeness [%] | 99.9 | |
Redundancy | 6.8 | |
CC(1/2) | 0.968 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 293 | 20% PEG 3350 200 mM Sodium Tartrate 14.7 mM HEPES pH 7.1 |