3D7I
Crystal structure of carboxymuconolactone decarboxylase family protein possibly involved in oxygen detoxification (1591455) from METHANOCOCCUS JANNASCHII at 1.75 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 | 2008-05-01 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.91162,0.97929,0.97907 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 73.571, 92.672, 111.237 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.952 - 1.750 |
| R-factor | 0.172 |
| Rwork | 0.170 |
| R-free | 0.19700 |
| Structure solution method | MAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.434 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 28.952 | 28.950 | 1.800 |
| High resolution limit [Å] | 1.750 | 7.830 | 1.750 |
| Rmerge | 0.078 | 0.064 | 0.535 |
| Total number of observations | 1971 | 14030 | |
| Number of reflections | 38442 | ||
| <I/σ(I)> | 4.8 | 8.5 | 1.4 |
| Completeness [%] | 99.5 | 96.2 | 98.9 |
| Redundancy | 4.9 | 4.2 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 3.7 | 277 | 0.2M ammonium sulfate, 17.8% polyethylene glycol 300, 10.0% Glycerol, 0.1M phosphate-citrate pH 3.7, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
