3DR2
Structural and Functional Analyses of XC5397 from Xanthomonas campestris: A Gluconolactonase Important in Glucose Secondary Metabolic Pathways
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-01-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.98002, 0.96477, 0.97975 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 115.541, 89.741, 85.228 |
| Unit cell angles | 90.00, 127.71, 90.00 |
Refinement procedure
| Resolution | 26.780 - 1.670 |
| Rwork | 0.211 |
| R-free | 0.23900 |
| Structure solution method | MAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.484 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.670 |
| High resolution limit [Å] | 1.610 | 1.610 |
| Rmerge | 0.290 | 0.290 |
| Number of reflections | 90819 | |
| <I/σ(I)> | 22.9 | 22.9 |
| Completeness [%] | 97.0 | 97 |
| Redundancy | 4.7 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 297 | 0.1M imidazole pH 8.0, 0.25M Ca(OAc)2, 15% PEG 3350, VAPOR DIFFUSION, temperature 297K |
