1V1F
Structure of the Arabidopsis thaliana SOS3 complexed with Calcium(II) and Manganese(II) ions
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM16 |
Synchrotron site | ESRF |
Beamline | BM16 |
Temperature [K] | 100 |
Collection date | 2003-10-15 |
Spacegroup name | I 41 |
Unit cell lengths | 91.900, 91.900, 85.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 3.000 |
R-factor | 0.238 |
Rwork | 0.237 |
R-free | 0.26200 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | SOS3 CA(II) COMPLEX PDB ENTRY 1V1G |
RMSD bond length | 0.016 |
RMSD bond angle | 1.926 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CCP4 |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.000 | 3.160 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.086 | 0.510 |
Number of reflections | 7041 | |
<I/σ(I)> | 4.5 | 1.5 |
Completeness [%] | 97.7 | 97.7 |
Redundancy | 4.5 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 4.8 | PRIOR TO CRYSTALLIZATION THE PROTEIN WAS PREINCUBATED WITH 3.8 MM CACL2 PLUS 3.8 MM MNCL2 TO REACH A FINAL PROTEIN CONCENTRATION OF 10 MG/ML AND A PROTEIN:METAL ION RATIO 1:10:10. CRYSTALLIZATION EXPERIMENTS WERE CARRIED OUT AT ROOM TEMPERATURE. CRYSTALS WERE GROWN USING VAPOUR DIFFUSION TECHNIQUES FROM DROPS CONTAINING SOS3-CA-MN, RESERVOIR SOLUTIONS (24%(W/V) METHYL-PENTANEDIOL, 16%(W/V) POLYETHYLENE GLYCOL 4000 AND 0.1 NA-CITRATE PH 4.8) AND NAI 1M IN A RATIO 2:1:0.75 |