7TWA
Crystal structure of apo BesC from Streptomyces cattleya
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 194 |
| Detector technology | PIXEL |
| Collection date | 2016-12-14 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.953680 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.917, 68.977, 126.748 |
| Unit cell angles | 90.00, 89.99, 90.00 |
Refinement procedure
| Resolution | 126.748 - 1.700 |
| R-factor | 0.2355 |
| Rwork | 0.199 |
| R-free | 0.24710 |
| Structure solution method | MAD |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.540 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHENIX (1.13) |
| Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 126.750 | 126.750 | 1.730 |
| High resolution limit [Å] | 1.700 | 9.310 | 1.700 |
| Rmerge | 0.080 | 0.061 | 0.635 |
| Rmeas | 0.085 | 0.065 | 0.688 |
| Rpim | 0.029 | 0.022 | 0.258 |
| Total number of observations | 941610 | 6153 | 36345 |
| Number of reflections | 115301 | 755 | 5378 |
| <I/σ(I)> | 14.2 | 32.9 | 2.6 |
| Completeness [%] | 99.7 | 99.9 | 94.6 |
| Redundancy | 8.2 | 8.1 | 6.8 |
| CC(1/2) | 0.999 | 0.999 | 0.917 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | SeMet crystals were prepared by micro-seeding equal volumes of protein solution (10 mg/mL BesC in 50 mM HEPES pH 7.5 and 1 mM TCEP) and reservoir solution (calcium acetate (0.6 mM), PEG 3350 (25% (v/v)) and 1,3 butane-diol (4%)) |
