3HTV
Crystal structure of D-allose kinase (NP_418508.1) from ESCHERICHIA COLI K12 at 1.95 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 | 2009-03-27 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97910 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 46.716, 101.394, 131.465 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.795 - 1.950 |
R-factor | 0.199 |
Rwork | 0.197 |
R-free | 0.24100 |
Structure solution method | MAD |
RMSD bond length | 0.017 |
RMSD bond angle | 1.778 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.25) |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 65.795 | 65.790 | 2.060 |
High resolution limit [Å] | 1.950 | 6.170 | 1.950 |
Rmerge | 0.062 | 0.031 | 0.652 |
Total number of observations | 5137 | 19164 | |
Number of reflections | 20638 | ||
<I/σ(I)> | 8.496 | 16.7 | 1 |
Completeness [%] | 88.7 | 99.2 | 100 |
Redundancy | 6.9 | 6.3 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 10.0000% MPD, 0.1M MES pH 6.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |