2NRB
C28S Mutant of Succinyl-CoA:3-Ketoacid CoA Transferase from Pig Heart
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-03-29 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.974, 264.428, 61.421 |
| Unit cell angles | 90.00, 109.80, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.223 |
| Rwork | 0.221 |
| R-free | 0.27500 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1m3e |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.800 |
| Data reduction software | XFIT |
| Data scaling software | SCALEPACK |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.137 | 0.242 |
| Number of reflections | 114144 | |
| <I/σ(I)> | 10.4 | 2.4 |
| Completeness [%] | 95.1 | 68.2 |
| Redundancy | 3.4 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 287 | PEG 2000, Tris-HCl, glycerol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 287K |
