4JOT
Crystal structure of enoyl-CoA hydrotase from Deinococcus radiodurans R1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-03-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 117.892, 117.892, 117.892 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.940 |
| R-factor | 0.194 |
| Rwork | 0.193 |
| R-free | 0.22007 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.114 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXS |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.087 | 0.390 |
| Number of reflections | 20369 | |
| <I/σ(I)> | 14.4 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 22 | 21.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | PEG4000, TRIS.HCl, Sodium Acetate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
