3RJM
CASPASE2 IN COMPLEX WITH CHDI LIGAND 33c
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-06-15 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.770, 97.380, 97.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.550 |
| R-factor | 0.19 |
| Rwork | 0.186 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1pyo |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.311 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.620 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.157 | 0.519 |
| Number of reflections | 20535 | |
| <I/σ(I)> | 13.47 | 4.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.2 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | 26% PEG 3500, 100MM MES PH 6.5 - PH 7.0, SITTING DROP, VAPOR DIFFUSION, TEMPERATURE 290K, VAPOR DIFFUSION, SITTING DROP |
