4N2H
Crystal structure of Protein Arginine Deiminase 2 (D177A, 0 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 | 2013-06-28 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9787 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 202.312, 52.035, 76.072 |
| Unit cell angles | 90.00, 105.31, 90.00 |
Refinement procedure
| Resolution | 40.633 - 1.808 |
| R-factor | 0.1742 |
| Rwork | 0.172 |
| R-free | 0.21090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4n20 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.263 |
| 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] | 40.633 | |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.083 | 0.650 |
| Number of reflections | 69484 | |
| <I/σ(I)> | 18.6 | 2 |
| Completeness [%] | 99.1 | 100 |
| Redundancy | 4.1 |
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 |
