4ZM4
Complex structure of PctV K276R mutant with PMP and 3-dehydroshkimate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-05-26 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.0 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 178.930, 178.930, 467.899 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.980 - 2.400 |
| R-factor | 0.23999 |
| Rwork | 0.238 |
| R-free | 0.27756 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zm3 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.475 |
| Data reduction software | MOSFLM |
| Data scaling software | MOSFLM |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.188 | 0.685 |
| Number of reflections | 102961 | |
| <I/σ(I)> | 7.3 | 2.5 |
| Completeness [%] | 92.1 | 92.9 |
| Redundancy | 7.3 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.8 | 278 | PEG 4000, magnesium chloride, MES-Na |
