3ETN
Crystal structure of putative phosphosugar isomerase involved in capsule formation (YP_209877.1) from Bacteroides fragilis NCTC 9343 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 | 2008-08-01 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97910,0.97849 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.409, 114.267, 115.917 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.223 - 1.700 |
R-factor | 0.173 |
Rwork | 0.172 |
R-free | 0.19700 |
Structure solution method | MAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.446 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.5) |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.223 | 29.223 | 1.740 |
High resolution limit [Å] | 1.700 | 7.600 | 1.700 |
Rmerge | 0.103 | 0.039 | 0.819 |
Total number of observations | 4398 | 29023 | |
Number of reflections | 88793 | ||
<I/σ(I)> | 5.554 | 15 | 0.9 |
Completeness [%] | 99.8 | 98.1 | 100 |
Redundancy | 4.5 | 4 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 5.0% PEG-6000, 0.1M MES pH 6.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |