4N2C
Crystal structure of Protein Arginine Deiminase 2 (F221/222A, 10 mM Ca2+)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Detector technology | CCD |
| Collection date | 2012-06-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.2836 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 202.930, 52.180, 75.820 |
| Unit cell angles | 90.00, 105.21, 90.00 |
Refinement procedure
| Resolution | 48.955 - 3.022 |
| R-factor | 0.2467 |
| Rwork | 0.245 |
| R-free | 0.27280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4n25 |
| RMSD bond length | 0.021 |
| RMSD bond angle | 0.959 |
| Data reduction software | HKL-2000 |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7.2_869) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.955 | |
| High resolution limit [Å] | 3.020 | 3.020 |
| Rmerge | 0.083 | 0.335 |
| Number of reflections | 13566 | |
| <I/σ(I)> | 17 | 4.5 |
| Completeness [%] | 98.7 | |
| Redundancy | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 10% MPD, 10% ethanol, 50 mM MES, pH 5.6, 20 mM magnesium chloride, 1 mM spermidine, VAPOR DIFFUSION, SITTING DROP |
