3B30
Crystal Structure of F. graminearum TRI101 complexed with Ethyl Coenzyme A
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 | 123.219, 123.219, 81.308 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.140 - 1.970 |
R-factor | 0.1858 |
Rwork | 0.185 |
R-free | 0.20876 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2zba |
RMSD bond length | 0.015 |
RMSD bond angle | 1.484 |
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 | 2.040 |
High resolution limit [Å] | 1.970 | 1.970 |
Rmerge | 0.079 | 0.079 |
Number of reflections | 612294 | |
<I/σ(I)> | 19.7 | 19.7 |
Completeness [%] | 99.9 | 99.3 |
Redundancy | 7.3 | 6.5 |
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 |