3KWS
Crystal structure of Putative sugar isomerase (YP_001305149.1) from Parabacteroides distasonis ATCC 8503 at 1.68 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 | 2009-06-11 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97910,0.97858 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 51.573, 107.200, 113.146 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.374 - 1.680 |
R-factor | 0.152 |
Rwork | 0.150 |
R-free | 0.18200 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.630 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.5) |
Phasing software | SOLVE |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.374 | 29.370 | 1.720 |
High resolution limit [Å] | 1.680 | 7.510 | 1.680 |
Rmerge | 0.132 | 0.063 | 0.541 |
Total number of observations | 2943 | 19446 | |
Number of reflections | 71903 | ||
<I/σ(I)> | 8.6 | 10 | 1.4 |
Completeness [%] | 99.6 | 94.6 | 100 |
Redundancy | 3.7 | 3.4 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.2000M MgCl2, 20.0000% PEG-8000, 0.1M TRIS pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |