2V7B
Crystal structures of a benzoate CoA ligase from Burkholderia xenovorans LB400
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Temperature [K] | 287 |
| Collection date | 2007-04-13 |
| Spacegroup name | P 1 |
| Unit cell lengths | 74.550, 74.550, 89.900 |
| Unit cell angles | 70.06, 79.95, 81.11 |
Refinement procedure
| Resolution | 36.660 - 1.840 |
| R-factor | 0.223 |
| Rwork | 0.221 |
| R-free | 0.25200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mdf |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.534 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.410 | 1.910 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.080 | 0.380 |
| Number of reflections | 141986 | |
| <I/σ(I)> | 7.5 | 2.6 |
| Completeness [%] | 92.2 | 84.5 |
| Redundancy | 3.5 | 3.36 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
