4XZ1
ZAP-70-tSH2:Compound-B adduct
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.989999 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.944, 61.105, 53.451 |
| Unit cell angles | 90.00, 116.37, 90.00 |
Refinement procedure
| Resolution | 47.890 - 2.800 |
| R-factor | 0.2181 |
| Rwork | 0.215 |
| R-free | 0.27020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oq1 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.687 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.890 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.130 | 0.759 |
| Number of reflections | 7638 | |
| <I/σ(I)> | 7.8 | 1.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | PEG 6000, calcium chloride, MES, TCEP |
