2GT4
Crystal Structure of the Y103F mutant of the GDP-mannose mannosyl hydrolase in complex with GDP-mannose and MG+2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Detector technology | CCD |
| Collection date | 2004-10-28 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 137.785, 93.893, 66.103 |
| Unit cell angles | 90.00, 91.23, 90.00 |
Refinement procedure
| Resolution | 77.610 - 2.300 |
| R-factor | 0.188 |
| Rwork | 0.186 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rya |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.223 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
| Rmerge | 0.072 | 0.039 | 0.406 |
| Number of reflections | 36595 | ||
| <I/σ(I)> | 14.3 | ||
| Completeness [%] | 97.6 | 96.2 | 99.9 |
| Redundancy | 3 | 3.1 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 5mM GDP-mannose 5mM glucose 5mM GDP-mannose 5mM glucose 100 mM Tris HCL p8.5 20% PEG 4000, 0.2 Mg Acetate, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
