3JR1
Crystal structure of Putative fructosamine-3-kinase (YP_719053.1) from HAEMOPHILUS SOMNUS 129PT at 2.32 A resolution
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-14 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91837,0.97936,0.97922 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 137.308, 85.627, 99.009 |
| Unit cell angles | 90.00, 132.92, 90.00 |
Refinement procedure
| Resolution | 27.671 - 2.320 |
| R-factor | 0.202 |
| Rwork | 0.199 |
| R-free | 0.24400 |
| Structure solution method | MAD |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.504 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 27.671 | 2.400 | |
| High resolution limit [Å] | 2.320 | 4.980 | 2.320 |
| Rmerge | 0.126 | 0.052 | 0.546 |
| Number of reflections | 36282 | 7024 | 6673 |
| <I/σ(I)> | 5.93 | 13.4 | 1.6 |
| Completeness [%] | 96.7 | 95.8 | 96.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 5.0% polyethylene glycol 6000, 0.1M TRIS pH 8.0, Additive: 0.001 M Adenosine 5'-[gamma-thio]triphosphate, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 277K |
