6ZLJ
Crystal Structure of UDP-Glucuronic acid 4-epimerase Y149F mutant from Bacillus cereus in complex with UDP-4-DEOXY-4-FLUORO-Glucuronic acid and NAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-29 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.199, 58.222, 64.439 |
| Unit cell angles | 97.25, 98.18, 109.93 |
Refinement procedure
| Resolution | 45.250 - 1.700 |
| R-factor | 0.1746 |
| Rwork | 0.172 |
| R-free | 0.21540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5u4q |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.599 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.250 | 1.740 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 54213 | 3953 |
| <I/σ(I)> | 8.4 | |
| Completeness [%] | 93.0 | |
| Redundancy | 9.1 | |
| CC(1/2) | 0.990 | 0.690 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 293 | 200 mM potassium acetate, 14-24% PEG3350, 2 mM NAD, 2 mM UDP-4-FLUORO-4-DEOXY-Glucuronic acid |
