3ENN
2.1A crystal structure of glucose/ribitol dehydrogenase from brucella melitensis (p43212)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-09-23 |
Detector | SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 119.500, 119.500, 136.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | ? - 2.100 |
R-factor | 0.19 |
Rwork | 0.188 |
R-free | 0.23000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.369 |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 2.150 | ||
High resolution limit [Å] | 2.100 | 9.390 | 2.100 |
Rmerge | 0.100 | 0.068 | 0.481 |
Number of reflections | 57871 | 669 | 4231 |
<I/σ(I)> | 34.3 | 6.2 | |
Completeness [%] | 99.8 | 88 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 289 | 45% MPD, 0.1M TRIS pH 8.5, 0.2M AMMONIUM ACETATE, VAPOR DIFFUSION, temperature 289K |