4R4K
Crystal structure of a cystatin-like protein (BACCAC_01506) from Bacteroides caccae ATCC 43185 at 1.69 A resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-02-14 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91837,0.97946 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 107.355, 62.823, 115.349 |
| Unit cell angles | 90.00, 106.57, 90.00 |
Refinement procedure
| Resolution | 29.757 - 1.690 |
| R-factor | 0.1765 |
| Rwork | 0.175 |
| R-free | 0.20260 |
| Structure solution method | MAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.413 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.757 | 1.760 | |
| High resolution limit [Å] | 1.690 | 3.660 | 1.700 |
| Rmerge | 0.111 | 0.015 | 0.015 |
| Number of reflections | 81133 | 15683 | 15524 |
| <I/σ(I)> | 6.96 | 19.5 | 1 |
| Completeness [%] | 98.7 | 98.1 | 98.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 277 | 26.0% polyethylene glycol 8000, 0.2M lithium sulfate, 0.1M sodium acetate pH 4.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
