4I1U
Apo crystal structure of a dephospho-CoA kinase from Burkholderia vietnamiensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-08-28 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 116.420, 116.420, 89.970 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.020 - 2.050 |
| R-factor | 0.2028 |
| Rwork | 0.201 |
| R-free | 0.23380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vhl |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.460 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.5.1) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.100 | |
| High resolution limit [Å] | 2.050 | 9.170 | 2.050 |
| Rmerge | 0.073 | 0.025 | 0.417 |
| Number of reflections | 44198 | 550 | 3199 |
| <I/σ(I)> | 21.94 | 68.23 | 4.57 |
| Completeness [%] | 99.3 | 98.4 | 97.6 |
| Redundancy | 10.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | BuviA.00139.a.B1 PS01581 at 26.1 mg/mL against MCSG 1 screen condition G5, 2 M ammonium sulfate, 0.1 M BisTris pH 6.5, with 20% ethylene glycol as cryo-protectant, crystal tracking ID 236782g5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
