3OBE
Crystal structure of a sugar phosphate isomerase/epimerase (BDI_3400) from Parabacteroides distasonis ATCC 8503 at 1.70 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 | 2009-12-04 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97910 |
Spacegroup name | P 1 |
Unit cell lengths | 45.745, 48.690, 79.880 |
Unit cell angles | 77.80, 74.67, 68.90 |
Refinement procedure
Resolution | 27.437 - 1.700 |
R-factor | 0.141 |
Rwork | 0.140 |
R-free | 0.16370 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.612 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SOLVE |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.437 | 27.437 | 1.760 |
High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
Rmerge | 0.045 | 0.021 | 0.252 |
Number of reflections | 64918 | 12698 | 10836 |
<I/σ(I)> | 10.89 | 25.8 | 2.2 |
Completeness [%] | 87.3 | 93.3 | 80.8 |
Redundancy | 1.99 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.56 | 277 | 5.0% polyethylene glycol 1000, 32.9% Ethanol, 0.1M phosphate-citrate pH 4.56, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |