4XSP
Crystal structure of Anabaena Alr3699/HepE in complex with UDP
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 | C 2 2 21 |
| Unit cell lengths | 78.883, 133.223, 143.019 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.780 - 2.150 |
| R-factor | 0.20776 |
| Rwork | 0.206 |
| R-free | 0.24371 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xso |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.334 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | iMOSFLM |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.085 | 0.501 |
| Number of reflections | 41058 | |
| <I/σ(I)> | 19.16 | 3.48 |
| Completeness [%] | 99.5 | 99.8 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289 | 1.0M ammonium citrate tribasic pH 7.0, 0.1M Bis-Tris propane pH 7.0 |
