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 |