3ULT
Crystal structure of an ice-binding protein from the perennial ryegrass, Lolium perenne
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X6A |
| Synchrotron site | NSLS |
| Beamline | X6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-14 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.13, 1.55 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 94.280, 62.490, 44.000 |
| Unit cell angles | 90.00, 113.96, 90.00 |
Refinement procedure
| Resolution | 19.423 - 1.400 |
| R-factor | 0.1662 |
| Rwork | 0.165 |
| R-free | 0.18730 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.422 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHARP |
| Refinement software | PHENIX (1.7.1_743) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 20.000 | 20.000 | 1.500 |
| High resolution limit [Å] | 1.400 | 10.000 | 1.400 |
| Rmerge | 0.076 | 0.049 | 0.293 |
| Number of reflections | 45098 | 111 | 8305 |
| <I/σ(I)> | 16.83 | 35.15 | 5.48 |
| Completeness [%] | 97.9 | 77.1 | 96.9 |
| Redundancy | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.2 | 277 | 45-50% Ethanol, 100 mM Phosphate-citrate, 0-5% PEG 1000, pH 4.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
