4XSR
Crystal structure of Anabaena Alr3699/HepE in complex with UDP-glucose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97923 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 130.228, 130.228, 157.359 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.940 - 2.390 |
| R-factor | 0.19566 |
| Rwork | 0.194 |
| R-free | 0.22041 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xso |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.508 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.570 |
| High resolution limit [Å] | 2.390 | 2.480 |
| Rmerge | 0.091 | 0.508 |
| Number of reflections | 56994 | |
| <I/σ(I)> | 15.52 | 3.79 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 4.6 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289 | 1.5M Li2SO4, 0.1M HEPES pH 7.5 |
