3G68
CRYSTAL STRUCTURE OF A PUTATIVE PHOSPHOSUGAR ISOMERASE (CD3275) FROM CLOSTRIDIUM DIFFICILE 630 AT 1.80 A RESOLUTION
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-12 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.97967, 0.94645 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 130.525, 55.914, 103.031 |
| Unit cell angles | 90.00, 114.22, 90.00 |
Refinement procedure
| Resolution | 28.989 - 1.800 |
| R-factor | 0.161 |
| Rwork | 0.159 |
| R-free | 0.19400 |
| Structure solution method | MAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.567 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.5) |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 28.989 | 28.989 | 1.850 |
| High resolution limit [Å] | 1.800 | 8.050 | 1.800 |
| Rmerge | 0.105 | 0.072 | 0.247 |
| Total number of observations | 2569 | 3145 | |
| Number of reflections | 55259 | ||
| <I/σ(I)> | 4.412 | 3 | 3 |
| Completeness [%] | 88.4 | 97.9 | 43.3 |
| Redundancy | 3.2 | 3.5 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | NANODROP, 0.20M (NH4)2H Citrate, 20.0% PEG 3350, No Buffer pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
