3KL3
Crystal structure of Ligand bound XynC
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 105 |
| Detector technology | CCD |
| Collection date | 2009-02-01 |
| Detector | RAYONIX MX-325 |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 137.869, 192.733, 65.554 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.330 |
| R-factor | 0.198 |
| Rwork | 0.195 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kl0 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.209 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.410 |
| High resolution limit [Å] | 2.330 | 5.020 | 2.330 |
| Rmerge | 0.145 | 0.051 | |
| Number of reflections | 75511 | ||
| <I/σ(I)> | 7.3 | ||
| Completeness [%] | 100.0 | 99.8 | 100 |
| Redundancy | 7.3 | 6.8 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294.6 | 200 mM sodium tartrate, 200 mM sodium malonate, pH 7.0, 19% PEG3350 Soaked in mother liquor/cryoprotectant/glucuronic acid solution, VAPOR DIFFUSION, SITTING DROP, temperature 294.6K |
