2XZD
Caspase-3 in Complex with an Inhibitory DARPin-3.4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 90 |
| Detector technology | PIXEL |
| Collection date | 2010-10-12 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 98.000, 98.000, 193.600 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.000 - 2.100 |
| R-factor | 0.18667 |
| Rwork | 0.185 |
| R-free | 0.21811 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dko |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.192 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.000 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.040 | 0.600 |
| Number of reflections | 63172 | |
| <I/σ(I)> | 15.59 | 1.92 |
| Completeness [%] | 99.3 | 99.5 |
| Redundancy | 3.9 | 4.03 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.3 | 100 MM HEPES, PH 7.3 (RT), 40 % 2-METHYL-2,4-PENTANEDIOL. |
