5VXI
Crystal structure of Xanthomonas campestris OleA E117D bound with Cerulenin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-02-17 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.02235 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 89.765, 89.765, 69.509 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.080 |
R-factor | 0.1741 |
Rwork | 0.171 |
R-free | 0.22890 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 3s21 |
RMSD bond length | 0.025 |
RMSD bond angle | 2.306 |
Data scaling software | HKL-2000 (v705) |
Phasing software | REFMAC (5.8.0158) |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.120 |
High resolution limit [Å] | 2.080 | 5.640 | 2.080 |
Rmerge | 0.143 | 0.081 | 0.720 |
Rmeas | 0.151 | 0.086 | 0.759 |
Rpim | 0.047 | 0.028 | 0.237 |
Number of reflections | 19937 | ||
<I/σ(I)> | 11.8 | ||
Completeness [%] | 98.8 | 90.2 | 100 |
Redundancy | 10.3 | 9.4 | 10 |
CC(1/2) | 0.991 | 0.746 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 292 | 12% PEG 4000, 70 MM MANGANESE CHLORIDE, 100 MM MES PH 6.0 |