3TH4
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 | 2006-06-07 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.919, 81.230, 126.534 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 68.360 - 1.800 |
R-factor | 0.206 |
Rwork | 0.204 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2a2q |
RMSD bond length | 0.025 |
RMSD bond angle | 2.007 |
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] | 68.360 |
High resolution limit [Å] | 1.800 |
Rmerge | 0.072 |
Number of reflections | 65408 |
<I/σ(I)> | 16.77 |
Completeness [%] | 97.7 |
Redundancy | 4.4 |
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, 45 mM Calcium Chloride, 5 mM Magnesium Chloride, pH 7.0, VAPOR DIFFUSION, temperature 298K |