3O61
Structure of the E100A E.coli GDP-mannose hydrolase (yffh) in complex with GDP-mannose and Mg++
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-14 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9787 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.276, 55.824, 158.121 |
| Unit cell angles | 90.00, 91.71, 90.00 |
Refinement procedure
| Resolution | 32.400 - 2.450 |
| R-factor | 0.2273 |
| Rwork | 0.224 |
| R-free | 0.29020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3o52 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.584 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 32.400 | 50.000 | 2.490 |
| High resolution limit [Å] | 2.450 | 6.650 | 2.450 |
| Rmerge | 0.098 | 0.090 | 0.165 |
| Number of reflections | 32636 | ||
| <I/σ(I)> | 14.4 | ||
| Completeness [%] | 93.0 | 95.8 | 59 |
| Redundancy | 3.2 | 3.3 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 20-26% PEG 3350, 0.2 M Mg Cl, 0.1 M Tris HCL pH 8.5, 4mM GDP-mannose at a ratio of 1:1 protein:reservoir, vapor diffusion, hanging drop, temperature 291K |
