2I52
Crystal structure of protein PTO0218 from Picrophilus torridus, Pfam DUF372
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-07-29 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.743 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 90.764, 143.485, 129.799 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.200 - 2.080 |
| R-factor | 0.179 |
| Rwork | 0.176 |
| R-free | 0.22500 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.084 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.150 |
| High resolution limit [Å] | 2.080 | 2.080 |
| Rmerge | 0.056 | 0.223 |
| Number of reflections | 49920 | |
| <I/σ(I)> | 59.4 | 9 |
| Completeness [%] | 96.7 | 78.4 |
| Redundancy | 20.2 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.2 M Calcium Chloride dihydrate, 0.1 M HEPES - Na pH 7.5, 28% v/v Polyethylene Glycol 400, pH 6.5, Vapor diffusion, Sitting drop, temperature 298K |
