4EGF
Crystal structure of a L-xylulose reductase from Mycobacterium smegmatis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-10 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97740 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.800, 130.750, 114.970 |
| Unit cell angles | 90.00, 103.74, 90.00 |
Refinement procedure
| Resolution | 19.880 - 2.300 |
| R-factor | 0.19 |
| Rwork | 0.187 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.447 |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 2.360 | ||
| High resolution limit [Å] | 2.300 | 10.290 | 2.300 |
| Rmerge | 0.102 | 0.022 | 0.461 |
| Number of reflections | 93608 | 934 | 6931 |
| <I/σ(I)> | 11.6 | 39.9 | 2.8 |
| Completeness [%] | 99.6 | 84.8 | 99.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.7 | 293 | 18% PEG 6000, 200 mM calcium chloride, PW 28826, MysmA.01365.g.A1.PW28826, pH 8.7, vapor diffusion, sitting drop, temperature 293K |
