3MSO
Crystal structure of a STEROID DELTA-ISOMERASE (NP_250810.1) from PSEUDOMONAS AERUGINOSA at 2.57 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 | 2009-01-18 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91162,0.97956,0.97941 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 34.699, 119.042, 128.411 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.566 - 2.570 |
| R-factor | 0.1949 |
| Rwork | 0.193 |
| R-free | 0.24120 |
| Structure solution method | MAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.180 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELX |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.566 | 2.660 |
| High resolution limit [Å] | 2.570 | 2.570 |
| Rmerge | 0.076 | 0.010 |
| Number of reflections | 8354 | |
| <I/σ(I)> | 10.61 | 1.2 |
| Completeness [%] | 91.0 | 92 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.19 | 277 | 39.9000% polyethylene glycol 600, 0.1M phosphate-citrate pH 4.19, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
