3UKK
Crystal structure of R182K-UDP-galactopuranose mutase from Aspergillus fumigatus in complex with UDPgalp
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-16 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.660, 123.660, 156.370 |
| Unit cell angles | 90.00, 103.26, 90.00 |
Refinement procedure
| Resolution | 47.987 - 2.750 |
| R-factor | 0.1859 |
| Rwork | 0.183 |
| R-free | 0.24090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | reduced AfUGM:UDPgalp complex |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.754 |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.100 | 48.100 | 2.770 |
| High resolution limit [Å] | 2.700 | 12.070 | 2.700 |
| Rmerge | 0.104 | 0.037 | 0.802 |
| Number of reflections | 67309 | ||
| <I/σ(I)> | 7.66 | 20.58 | 1.3 |
| Completeness [%] | 93.5 | 88.7 | 96.2 |
| Redundancy | 2 | 2.602 | 2.422 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 8.5 | 295 | 0.1M Bis-Tris-Propane pH 7.5-8.5, 0.2-0.35M sodium citrate, 10-20% PEG 3350, microbatch, temperature 295K |
