3CV3
Crystal Structure of GumK mutant D157A in complex with UDP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE D03B-MX1 |
| Synchrotron site | LNLS |
| Beamline | D03B-MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.433 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 120.958, 120.958, 171.031 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 17.460 - 2.250 |
| R-factor | 0.175 |
| Rwork | 0.173 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hy7 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.944 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.5) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 17.460 | 2.370 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.149 | 0.286 |
| Number of reflections | 35644 | |
| <I/σ(I)> | 16.8 | 10.1 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 14.9 | 14.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 293 | 0.1 M Tris-HCl, 35% (w/v) PEG 3350, 0.2 M Li2SO4, 0.1 M LiCl, pH 8.2, hanging drop and soaking of crystals in UDPGlcA 10 mM, temperature 293K, VAPOR DIFFUSION, HANGING DROP |
