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 |