4F3N
High resolution native crystal structure of an uncharacterized ACR, COG1565 superfamily protein from Burkholderia thailandensis, solved by iodide ion SAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-22 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.860, 50.130, 142.940 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.750 |
| R-factor | 0.1687 |
| Rwork | 0.167 |
| R-free | 0.19880 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.474 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.800 | |
| High resolution limit [Å] | 1.750 | 7.830 | 1.750 |
| Rmerge | 0.042 | 0.019 | 0.340 |
| Number of reflections | 36871 | 489 | 2607 |
| <I/σ(I)> | 26.89 | 86.75 | 3.28 |
| Completeness [%] | 99.5 | 99 | 96 |
| Redundancy | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | ButhA.17973.a.A1 PS01383 at 21.5 mg/mL against JCSG+ H7 0.2 M ammonium sulfate, 0.1 M BisTris pH 5.5, 25% PEG 3350 with 20% ethylene glycol as cryo-protectant, crystal tracking ID 231359h7, PEGasIS iodide soak 1M NaI/20EG, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | ButhA.17973.a.A1 PS01383 at 21.5 mg/mL against JCSG+ H7 0.2 M ammonium sulfate, 0.1 M BisTris pH 5.5, 25% PEG 3350 with 20% ethylene glycol as cryo-protectant, crystal tracking ID 231359h7, PEGasIS iodide soak 1M NaI/20EG, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | ButhA.17973.a.A1 PS01383 at 21.5 mg/mL against JCSG+ H7 0.2 M ammonium sulfate, 0.1 M BisTris pH 5.5, 25% PEG 3350 with 20% ethylene glycol as cryo-protectant, crystal tracking ID 231359h7, PEGasIS iodide soak 1M NaI/20EG, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
