4EL1
Crystal structure of oxidized hPDI (abb'xa')
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-11-02 |
Detector | APEX II CCD |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 160.748, 34.014, 156.959 |
Unit cell angles | 90.00, 104.89, 90.00 |
Refinement procedure
Resolution | 29.837 - 2.883 |
R-factor | 0.2623 |
Rwork | 0.261 |
R-free | 0.28150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ekz |
RMSD bond length | 0.015 |
RMSD bond angle | 0.981 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.270 | 3.000 |
High resolution limit [Å] | 2.883 | 3.120 | 2.900 |
Number of reflections | 19053 | ||
Completeness [%] | 99.4 | ||
Redundancy | 3.9 | 3.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 9.8 | 294 | 25% PEG 3350, 0.1M Bis-Tris, 0.2M ammonium acetate, pH 9.8, EVAPORATION, temperature 294K |