3UBM
Formyl-CoA:oxalate CoA-transferase from Acetobacter aceti
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2006-09-09 |
| Detector | NOIR-1 |
| Wavelength(s) | 1.24 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 98.164, 121.612, 161.377 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.643 - 1.992 |
| R-factor | 0.1981 |
| Rwork | 0.196 |
| R-free | 0.24250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1q6y |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.041 |
| Data reduction software | d*TREK |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 97.129 | 2.100 |
| High resolution limit [Å] | 1.992 | 1.992 |
| Rmerge | 0.124 | 0.397 |
| Number of reflections | 116900 | |
| <I/σ(I)> | 10.3 | 1.6 |
| Completeness [%] | 89.1 | 90.4 |
| Redundancy | 7.4 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.8 | 295 | 24% w/v PEG4000, 100 mM bicine, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
