5XZ4
The X-tay structure of Bumblebee PGRP-SA
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 | 2017-04-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 115.950, 49.940, 78.770 |
| Unit cell angles | 90.00, 120.37, 90.00 |
Refinement procedure
| Resolution | 38.610 - 1.410 |
| R-factor | 0.18622 |
| Rwork | 0.185 |
| R-free | 0.20903 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s2j |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.388 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.450 |
| High resolution limit [Å] | 1.410 | 1.410 |
| Rmerge | 0.619 | |
| Number of reflections | 72461 | |
| <I/σ(I)> | 11.3 | |
| Completeness [%] | 96.6 | 94.6 |
| Redundancy | 7.5 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 0.2 M Magnesium chloride hexahydrate, 0.1 M TRIS hydrochloride pH 8.5, 30% w/v Polyethylene glycol 4,000 |
