5NCS
Structure of the native serpin-type proteinase inhibitor, miropin.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-11-26 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 78.490, 78.490, 351.710 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.970 - 3.000 |
| R-factor | 0.1771 |
| Rwork | 0.176 |
| R-free | 0.21640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zv6 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.190 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.000 | 3.180 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.172 | 1.295 |
| Rmeas | 0.176 | 1.325 |
| Number of reflections | 23150 | 2760 |
| <I/σ(I)> | 20.5 | 3.3 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 21.5 | 22.4 |
| CC(1/2) | 0.999 | 0.895 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.15 | 2.4 M disodium malonate, pH 7.0 |
