3LZA
Crystal structure of Putative SnoaL-like polyketide cyclase (YP_563807.1) from SHEWANELLA DENITRIFICANS OS-217 at 1.70 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 | 2009-11-06 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91837,0.97951 |
| Spacegroup name | P 1 |
| Unit cell lengths | 45.843, 56.510, 57.537 |
| Unit cell angles | 90.13, 103.27, 102.85 |
Refinement procedure
| Resolution | 29.599 - 1.700 |
| R-factor | 0.195 |
| Rwork | 0.193 |
| R-free | 0.23800 |
| Structure solution method | MAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.501 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.599 | 29.599 | 1.750 |
| High resolution limit [Å] | 1.700 | 3.630 | 1.690 |
| Rmerge | 0.108 | 0.044 | 0.773 |
| Number of reflections | 57152 | 11548 | 7208 |
| <I/σ(I)> | 5.34 | 11 | 1.5 |
| Completeness [%] | 84.8 | 93.2 | 59.1 |
| Redundancy | 1.99 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 1.8000M tri-ammonium citrate, No Buffer pH 7.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
