6FIE
Crystallographic structure of calcium loaded Calbindin-D28K.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-12-14 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.976 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 84.617, 104.222, 29.614 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.900 - 1.510 |
R-factor | 0.203 |
Rwork | 0.202 |
R-free | 0.23600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | I23 Partial Model |
RMSD bond length | 0.010 |
RMSD bond angle | 1.010 |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.610 | 1.540 |
High resolution limit [Å] | 1.510 | 1.510 |
Rmerge | 0.041 | 0.852 |
Rmeas | 0.048 | 0.996 |
Rpim | 0.024 | 0.506 |
Number of reflections | 41505 | 2048 |
<I/σ(I)> | 14.4 | 1.4 |
Completeness [%] | 99.1 | 99.8 |
Redundancy | 3.7 | 3.7 |
CC(1/2) | 0.998 | 0.400 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Sample: 41.6mg/ml Calbindin-D28k in 1mM CaCl 5mM Tris pH8.0 (HCl). Reservoir: 0.1M Potassium thiocyanate and 30% w/v PEG 2000 MME. |