4PXQ
Crystal structure of D-glucuronyl C5-epimerase in complex with heparin hexasaccharide
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 | 2013-06-14 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 152.606, 200.982, 46.561 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.430 - 2.200 |
| R-factor | 0.19568 |
| Rwork | 0.194 |
| R-free | 0.22177 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.262 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALA |
| Phasing software | SHELXS |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.292 | 1.370 |
| Number of reflections | 74069 | |
| <I/σ(I)> | 9.2 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.3 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 16% w/v PEG 3,350, 0.1 M sodium citrate tribasic dehydrate pH 5.6, and 2% v/v Tacsimate pH 5.0., VAPOR DIFFUSION, HANGING DROP, temperature 293K |
