2WCB
S100A12 complex with zinc in the absence of calcium
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 120 |
Detector technology | CCD |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | F 2 2 2 |
Unit cell lengths | 83.696, 83.743, 155.540 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 77.850 - 1.730 |
R-factor | 0.228 |
Rwork | 0.226 |
R-free | 0.26100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e8a |
RMSD bond length | 0.021 |
RMSD bond angle | 1.830 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0082) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 77.800 | |
High resolution limit [Å] | 1.730 | 1.730 |
Rmerge | 0.080 | 0.720 |
Number of reflections | 28275 | |
<I/σ(I)> | 17.1 | 1.7 |
Completeness [%] | 99.6 | 99.6 |
Redundancy | 5.1 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 34% PEG 3350, MME, 0.2M TRI AMMONIUM CITRATE PH 7.0 |