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 |