5NCT
Structure of the trypsin induced serpin-type proteinase inhibitor, miropin.
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 | 2015-07-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.533, 73.747, 84.452 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.430 - 1.600 |
| R-factor | 0.1456 |
| Rwork | 0.145 |
| R-free | 0.15960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hle |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.050 |
| 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] | 47.700 | 1.700 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.036 | 0.169 |
| Rmeas | 0.037 | 0.182 |
| Number of reflections | 51750 | 3446 |
| <I/σ(I)> | 42.5 | 9.4 |
| Completeness [%] | 98.9 | 93 |
| Redundancy | 11.4 | 7 |
| CC(1/2) | 1.000 | 0.984 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293.15 | 200 mM sodium iodide 100 mM Bis-Tris pH 6.5 20% [w/v] polyethylene glycol 3,350 |
