2ZBA
Crystal Structure of F. sporotrichioides TRI101 complexed with Coenzyme A and T-2
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Wavelength(s) | .97907,.97924 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 100.973, 81.966, 113.506 |
| Unit cell angles | 90.00, 109.15, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.20114 |
| Rwork | 0.199 |
| R-free | 0.25050 |
| Structure solution method | MIR |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.498 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.080 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.049 | 0.270 |
| Number of reflections | 118024 | |
| <I/σ(I)> | 8.9 | 1.7 |
| Completeness [%] | 89.2 | 74.5 |
| Redundancy | 1.6 | 1.4 |
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 |
