3TY1
Crystal structure of a putative aldose 1-epimerase (KPN_04629) from Klebsiella pneumoniae subsp. pneumoniae MGH 78578 at 1.90 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-23 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91162,0.97932,0.97915 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 124.033, 119.953, 103.015 |
Unit cell angles | 90.00, 106.72, 90.00 |
Refinement procedure
Resolution | 29.698 - 1.900 |
R-factor | 0.1598 |
Rwork | 0.158 |
R-free | 0.19310 |
Structure solution method | MAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.667 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.15) |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.698 | 29.698 | 1.950 |
High resolution limit [Å] | 1.900 | 8.500 | 1.900 |
Rmerge | 0.038 | 0.561 | |
Total number of observations | 4568 | 31646 | |
Number of reflections | 113332 | ||
<I/σ(I)> | 9.8 | 24.9 | 2.3 |
Completeness [%] | 99.9 | 95.2 | 100 |
Redundancy | 3.8 | 3.7 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 40.00% 2-methyl-2,4-pentanediol, 0.20M ammonium sulfate, 0.1M TRIS pH 7.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K |