4P0O
Cleaved Serpin 42Da
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 | 2013-05-03 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 87.220, 109.770, 140.580 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.057 - 1.800 |
| R-factor | 0.1658 |
| Rwork | 0.165 |
| R-free | 0.18520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.085 |
| Refinement software | PHENIX ((phenix.refine: dev_1593)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.128 | 0.935 |
| Number of reflections | 62423 | |
| <I/σ(I)> | 7.3 | 1.5 |
| Completeness [%] | 99.6 | 98.9 |
| Redundancy | 6.4 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2M ammonium phosphate monobasic, 20 % (w/v) PEG3350 |
