2WCE
calcium-free (apo) S100A12
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 120 |
Detector technology | CCD |
Detector | ADSC CCD |
Spacegroup name | H 3 |
Unit cell lengths | 77.516, 77.516, 99.076 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 55.560 - 1.770 |
R-factor | 0.165 |
Rwork | 0.163 |
R-free | 0.20500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1k9p |
RMSD bond length | 0.016 |
RMSD bond angle | 1.368 |
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] | 55.600 | |
High resolution limit [Å] | 1.770 | 1.770 |
Rmerge | 0.070 | 0.640 |
Number of reflections | 21533 | |
<I/σ(I)> | 22.7 | 2.07 |
Completeness [%] | 99.0 | 99.1 |
Redundancy | 5.6 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 1.4M NA-CITRATE, PH 7.5 |