3F8X
Crystal structure of a putative delta-5-3-ketosteroid isomerase (eca2236) from pectobacterium atrosepticum scri1043 at 1.55 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 | 2008-08-03 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91837,0.97934,0.97922 |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.780, 51.600, 66.310 |
| Unit cell angles | 79.41, 79.74, 61.89 |
Refinement procedure
| Resolution | 25.310 - 1.550 |
| R-factor | 0.15971 |
| Rwork | 0.158 |
| R-free | 0.18810 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.492 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 28.964 | 28.964 | 1.610 |
| High resolution limit [Å] | 1.550 | 3.330 | 1.550 |
| Rmerge | 0.038 | 0.017 | 0.427 |
| Number of reflections | 80729 | ||
| <I/σ(I)> | 9.84 | 28.2 | 1.4 |
| Completeness [%] | 94.6 | 96.7 | 90.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 20.0000% PEG-6000, 0.1M Citrate pH 5.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
