4P0F
Cleaved Serpin 42Da (C 2 2 21)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-03-18 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 59.740, 125.950, 119.940 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.880 - 1.700 |
| R-factor | 0.1667 |
| Rwork | 0.166 |
| R-free | 0.18820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f02 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.033 |
| Refinement software | PHENIX ((phenix.refine: dev_1593)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.880 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.100 | 0.672 |
| Number of reflections | 50081 | |
| <I/σ(I)> | 12.7 | 3.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.6 | 7.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2 M lithium chloride, 20 % (w/v) PEG3350 |
