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 |