10BR
Crystal structure of B. burgdorferi HtrA PDZ1-2 domains
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X17B1 |
| Synchrotron site | NSLS |
| Beamline | X17B1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-07-16 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.92010 |
| Spacegroup name | P 1 |
| Unit cell lengths | 38.025, 72.285, 76.968 |
| Unit cell angles | 65.35, 89.96, 89.19 |
Refinement procedure
| Resolution | 20.000 - 1.500 |
| R-factor | 0.18431 |
| Rwork | 0.182 |
| R-free | 0.22961 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.891 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.140 | 1.610 |
| Number of reflections | 111596 | 7615 |
| <I/σ(I)> | 7 | 1.1 |
| Completeness [%] | 98.7 | 91.6 |
| Redundancy | 9.5 | |
| CC(1/2) | 0.996 | 0.554 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.1 M potassium thiocyanate and 30% polyethylene glycol monomethyl ether 2000 |
