5EQA
Crystal structure of Medicago truncatula Histidinol-Phosphate Phosphatase (MtHPP) with intermolecular cross-link between Lys158 and Cys245
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-21 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 0.7999 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.240, 89.390, 92.240 |
| Unit cell angles | 90.00, 96.93, 90.00 |
Refinement procedure
| Resolution | 36.200 - 1.320 |
| R-factor | 0.125 |
| Rwork | 0.124 |
| R-free | 0.16500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.000 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.350 |
| High resolution limit [Å] | 1.320 | 1.320 |
| Rmerge | 0.065 | 0.710 |
| Number of reflections | 234185 | |
| <I/σ(I)> | 12 | 2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 5.1 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | 30% PEG 3350, 0.1 M Bis-Tris pH 6.5, 0.2 M ammonium acetate, 10 mM magnesium acetate. Crystals were incubated overnight over the reservoir supplemented with 100 mM formaldehyde to complete cross-linking between Lys158 and Cys245 and vitrified in Paraton-N |
