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 |