3EUA
CRYSTAL STRUCTURE OF A PUTATIVE PHOSPHOSUGAR ISOMERASE (BSU32610) FROM BACILLUS SUBTILIS AT 1.90 A RESOLUTION
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL11-1 |
| Synchrotron site | SSRL |
| Beamline | BL11-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-17 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91837,0.97908,0.97864 |
| Spacegroup name | P 1 |
| Unit cell lengths | 60.857, 91.822, 119.041 |
| Unit cell angles | 109.30, 100.45, 96.55 |
Refinement procedure
| Resolution | 29.975 - 1.900 |
| R-factor | 0.17 |
| Rwork | 0.168 |
| R-free | 0.21200 |
| Structure solution method | MAD |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.647 |
| 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] | 29.975 | 29.980 | 1.950 |
| High resolution limit [Å] | 1.900 | 8.500 | 1.900 |
| Rmerge | 0.079 | 0.035 | 0.420 |
| Total number of observations | 3933 | 25900 | |
| Number of reflections | 179677 | ||
| <I/σ(I)> | 7.179 | 13.9 | 1.6 |
| Completeness [%] | 97.1 | 96.5 | 95.9 |
| Redundancy | 2 | 2 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 15.0% Glycerol, 0.1700M NH4OAc, 25.5% PEG-4000, 0.1M Citrate pH 5.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
