5T3J
Histidinol Phosphate Phosphatase(HPP) soaked with selenourea for 10 min
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-04-24 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.978 |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 119.635, 119.635, 92.906 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.690 - 2.550 |
R-factor | 0.20711 |
Rwork | 0.204 |
R-free | 0.23659 |
Structure solution method | SAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.614 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | SHELXD |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.640 |
High resolution limit [Å] | 2.550 | 2.550 |
Rmerge | 0.100 | 1.220 |
Number of reflections | 13333 | |
<I/σ(I)> | 24.7 | 1.9 |
Completeness [%] | 99.9 | 100 |
Redundancy | 11.8 | 12.1 |
CC(1/2) | 0.940 | 0.710 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 15% (w/v) PEG 3350, 0.2 M diammonium hydrogen phosphate buffer pH 8.0 |