2EGD
Crystal structure of human S100A13 in the Ca2+-bound state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-06-30 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.774, 59.287, 77.624 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.140 - 1.800 |
R-factor | 0.19732 |
Rwork | 0.195 |
R-free | 0.23418 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1xk4 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.467 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 17786 | |
<I/σ(I)> | 31.5 | 3.4 |
Completeness [%] | 99.1 | 93 |
Redundancy | 6.9 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 22% PEG 3350, 0.1M HEPES-NaOH (pH 7.5), 0.2M NaCl, 1.5% 1,2,3-heptanetriol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |