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 |
