2RKV
Crystal Structure of F. graminearum TRI101 complexed with Coenzyme A and T-2 mycotoxin
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 |
Wavelength(s) | 0.97907 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 123.113, 123.113, 81.270 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.900 - 1.600 |
R-factor | 0.18537 |
Rwork | 0.184 |
R-free | 0.20896 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2zba |
RMSD bond length | 0.009 |
RMSD bond angle | 1.201 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.063 | 0.503 |
Number of reflections | 78126 | |
<I/σ(I)> | 20.2 | 1.2 |
Completeness [%] | 86.4 | 46.7 |
Redundancy | 5.8 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 277 | 2.1M sodium malonate, 100 mM 3-N-morpholino propanesulfonic acid, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 277K |