4DF9
Crystal structure of a putative peptidase (BF3526) from Bacteroides fragilis NCTC 9343 at 2.17 A resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-22 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91837,0.97941,0.97899 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 238.730, 92.820, 173.890 |
| Unit cell angles | 90.00, 125.26, 90.00 |
Refinement procedure
| Resolution | 48.732 - 2.170 |
| R-factor | 0.1577 |
| Rwork | 0.156 |
| R-free | 0.18780 |
| Structure solution method | MAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS |
| Data scaling software | XSCALE (December 6, 2010) |
| Phasing software | SHELX |
| Refinement software | BUSTER-TNT (2.10.0) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.732 | 2.250 | |
| High resolution limit [Å] | 2.170 | 4.660 | 2.170 |
| Rmerge | 0.110 | 0.040 | 0.765 |
| Number of reflections | 162812 | 16756 | 16568 |
| <I/σ(I)> | 10.11 | 27.4 | 1.9 |
| Completeness [%] | 99.0 | 98.8 | 98.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20.00% Glycerol 20.00% polyethylene glycol 4000, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
