4WGF
YcaC from Pseudomonas aeruginosa with hexane-2,5-diol and covalent acrylamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-09-16 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 158.360, 74.480, 141.060 |
| Unit cell angles | 90.00, 92.29, 90.00 |
Refinement procedure
| Resolution | 31.720 - 2.340 |
| R-factor | 0.173799820715 |
| Rwork | 0.172 |
| R-free | 0.20385 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yac |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.671 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (dev_1745) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.720 | 2.424 |
| High resolution limit [Å] | 2.340 | 2.340 |
| Rmerge | 0.156 | 0.276 |
| Number of reflections | 60390 | |
| <I/σ(I)> | 11.68 | 4.59 |
| Completeness [%] | 87.0 | 36 |
| Redundancy | 4 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.75 | 292 | Crystal produced from streak seeding. Mother liquor: 26% w/v PEG 3350, 400 mM (NH4)2SO4, and 70 mM BisTris-HCl pH 6.75. Protein buffer: 50 mM NaCl, 50 mM Tris-HCl pH 7.4, 4% 1-,4-dioxane, and 0.1 mM TCEP. |
