1XIZ
Structural Genomics, The crystal structure of domain IIA of putative phosphotransferase system specific for mannitol/fructose from Salmonella typhimurium
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-05-29 |
Detector | SBC-2 |
Wavelength(s) | 0.9795,0.9798,0.9465 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.875, 48.138, 123.883 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.950 - 2.000 |
R-factor | 0.203 |
Rwork | 0.203 |
R-free | 0.27600 |
Structure solution method | MAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.200 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.099 | 0.456 |
Number of reflections | 37292 | |
<I/σ(I)> | 15.34 | 2.18 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 4.9 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 2.4M Sodium Malonate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |