4N2I
Crystal structure of Protein Arginine Deiminase 2 (D177A, 10 mM Ca2+)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-01 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9787 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 203.020, 51.470, 76.130 |
| Unit cell angles | 90.00, 105.82, 90.00 |
Refinement procedure
| Resolution | 48.833 - 1.900 |
| R-factor | 0.1734 |
| Rwork | 0.171 |
| R-free | 0.20970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4n25 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.235 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7.2_869) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.833 | |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.075 | 0.469 |
| Number of reflections | 59998 | |
| <I/σ(I)> | 10.5 | 2.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 10-20% MPD, 50 mM MES, pH 5.6, 0.12 M sodium acetate, VAPOR DIFFUSION, SITTING DROP |
