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 |