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%)) |