7D4Y
Structure of human wild-type peptidylarginine deiminase type III (PAD3)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-01-27 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.0 |
Spacegroup name | H 3 |
Unit cell lengths | 114.965, 114.965, 332.490 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.496 - 2.962 |
R-factor | 0.2064 |
Rwork | 0.204 |
R-free | 0.24500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1wd8 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.000 |
High resolution limit [Å] | 2.950 | 8.000 | 2.950 |
Rmerge | 0.087 | 0.032 | 0.437 |
Total number of observations | 334364 | ||
Number of reflections | 34043 | 1688 | 1722 |
<I/σ(I)> | 7 | ||
Completeness [%] | 99.9 | 98.8 | 100 |
Redundancy | 9.8 | 9.4 | 9.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | HEPES PEG400 NaCl |