5NCW
Structure of the trypsin induced serpin-type proteinase inhibitor, miropin (V367K/K368A mutant).
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-02-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9789 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.600, 74.280, 84.380 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 55.750 - 1.500 |
| R-factor | 0.163 |
| Rwork | 0.163 |
| R-free | 0.18300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hle |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.030 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER-TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.400 | 1.590 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.074 | 0.843 |
| Rmeas | 0.077 | 0.886 |
| Number of reflections | 63557 | 4558 |
| <I/σ(I)> | 21.8 | 2.8 |
| Completeness [%] | 99.8 | 99.1 |
| Redundancy | 12.8 | 10.7 |
| CC(1/2) | 1.000 | 0.842 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 293.15 | 200 mM sodium iodide 100 mM Bis-Tris, pH 6.5 20% [w/v] polyethylene glycol 3,350 |
