3EHC
Crystal structure of a snoal-like polyketide cyclase (atu3018) from agrobacterium tumefaciens str. c58 at 2.12 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 | 2008-08-04 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91162, 0.97920, 0.97932 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.100, 114.060, 137.990 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.514 - 2.120 |
| R-factor | 0.207 |
| Rwork | 0.205 |
| R-free | 0.24300 |
| Structure solution method | MAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.431 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.514 | 29.514 | 2.200 |
| High resolution limit [Å] | 2.120 | 4.550 | 2.120 |
| Rmerge | 0.065 | 0.023 | 0.522 |
| Number of reflections | 47190 | 8911 | 9327 |
| <I/σ(I)> | 8.77 | 25.1 | 1.47 |
| Completeness [%] | 98.3 | 97.4 | 98.3 |
| Redundancy | 3.63 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 1.5000M (NH4)2SO4, 12.0000% Glycerol, 0.1M TRIS pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
