2FLO
Crystal structure of exopolyphosphatase (PPX) from E. coli O157:H7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X8C |
Synchrotron site | NSLS |
Beamline | X8C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-09-05 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9801 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 95.547, 132.139, 107.850 |
Unit cell angles | 90.00, 105.10, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.200 |
R-factor | 0.20477 |
Rwork | 0.202 |
R-free | 0.24710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Map obtained from peak wavelength used for orientation corresponding to the present dataset. |
RMSD bond length | 0.013 |
RMSD bond angle | 1.278 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SnB |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 104.257 | 2.110 |
High resolution limit [Å] | 2.040 | 2.040 |
Number of reflections | 119378 | |
<I/σ(I)> | 9.2 | |
Completeness [%] | 87.5 | 33.8 |
Redundancy | 3.6 | 1.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 5% PEG350, 0.1M Na Citrate (pH 4.6) and 5% MPD., VAPOR DIFFUSION, HANGING DROP, temperature 298K |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 5% PEG350, 0.1M Na Citrate (pH 4.6) and 5% MPD., VAPOR DIFFUSION, HANGING DROP, temperature 298K |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 5% PEG350, 0.1M Na Citrate (pH 4.6) and 5% MPD., VAPOR DIFFUSION, HANGING DROP, temperature 298K |