3TH3
Mg2+ Is Required for Optimal Folding of the Gamma-Carboxyglutamic Acid (Gla) Domains of Vitamin K-Dependent Clotting Factors At Physiological Ca2+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 200 |
Detector technology | CCD |
Collection date | 2006-09-14 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 78.079, 68.894, 79.153 |
Unit cell angles | 90.00, 91.19, 90.00 |
Refinement procedure
Resolution | 55.010 - 2.700 |
R-factor | 0.232 |
Rwork | 0.228 |
R-free | 0.29800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2a2q |
RMSD bond length | 0.016 |
RMSD bond angle | 1.850 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 55.010 |
High resolution limit [Å] | 2.700 |
Rmerge | 0.125 |
Number of reflections | 22917 |
<I/σ(I)> | 9.98 |
Completeness [%] | 98.8 |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 298 | 20% PEG 4000, 50 mM Tris-HCL, 50 mM N-(2-Acetamido)iminodiacetic acid, 150 mM NaCl, 2.5 mM Calcium Chloride, 1.25 mM Magnesium Chloride, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |