3F7W
Crystal structure of putative fructosamine-3-kinase (YP_290396.1) from THERMOBIFIDA FUSCA YX-ER1 at 1.85 A resolution
Replaces: 3D1UExperimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL1-5 |
| Synchrotron site | SSRL |
| Beamline | BL1-5 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-03-23 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.918381,0.979224,0.978618 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 91.178, 91.178, 82.049 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.916 - 1.850 |
| R-factor | 0.167 |
| Rwork | 0.165 |
| R-free | 0.20400 |
| Structure solution method | MAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.411 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.5) |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 28.916 | 28.920 | 1.900 |
| High resolution limit [Å] | 1.850 | 8.270 | 1.850 |
| Rmerge | 0.067 | 0.029 | 0.683 |
| Total number of observations | 2317 | 15742 | |
| Number of reflections | 30125 | ||
| <I/σ(I)> | 7.325 | 20.7 | 1.1 |
| Completeness [%] | 99.9 | 97 | 100 |
| Redundancy | 7 | 5.9 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 277 | 1.0000M LiCl, 10.0000% PEG-6000, 0.1M Bicine pH 9.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
