6NHH
Rhodobacter sphaeroides bc1 with azoxystrobin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-10-06 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 89.309, 154.655, 100.939 |
Unit cell angles | 90.00, 95.36, 90.00 |
Refinement procedure
Resolution | 39.285 - 3.000 |
R-factor | 0.2646 |
Rwork | 0.264 |
R-free | 0.28160 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX (dev_3339) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.070 |
High resolution limit [Å] | 3.000 | 7.390 | 3.000 |
Rmerge | 0.198 | 0.051 | |
Rmeas | 0.197 | 0.055 | |
Rpim | 0.096 | 0.020 | 0.686 |
Total number of observations | 396134 | ||
Number of reflections | 54693 | 3700 | 3658 |
<I/σ(I)> | 4.4 | ||
Completeness [%] | 100.0 | 99.5 | 100 |
Redundancy | 7.2 | 7.6 | 6.8 |
CC(1/2) | 0.999 | 0.600 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 57 mg/ml protein incubated with 3.5 mM azoxystrobin (ChemService). Diluted with 50 mM Tris 7.5 pH, 200 mM NaCl, 200 mM Histidine, 0.5% b-OG, 10 % glycerol, 5 mM NaN3 and 1.25 mM NaAscorbate. This solution is treated with 0.12-0.30% SMC and 5-8% PEG400 and 10 mM Sr(NO3)2 |