5Y28
Crystal structure of H. pylori HtrA with PDZ2 deletion
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-05-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 89.910, 91.500, 120.320 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.876 - 3.086 |
R-factor | 0.259468200327 |
Rwork | 0.257 |
R-free | 0.29838 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.538 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.000 |
High resolution limit [Å] | 2.900 | 6.240 | 2.900 |
Rmerge | 0.089 | 0.045 | 1.345 |
Rmeas | 0.104 | 0.053 | 1.570 |
Rpim | 0.054 | 0.028 | 0.807 |
Total number of observations | 151679 | ||
Number of reflections | 18846 | ||
<I/σ(I)> | 7.2 | ||
Completeness [%] | 97.6 | 98.1 | 94 |
Redundancy | 3.6 | 3.7 | 3.6 |
CC(1/2) | 0.995 | 0.550 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M HEPES pH 7.5, 0.2 M proline, 18%-20% PEG 1500 |