5XOZ
Crystal structure of a Kunitz type trypsin inhibitor from Cicer arietinumL
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | RRCAT INDUS-2 BEAMLINE PX-BL21 |
| Synchrotron site | RRCAT INDUS-2 |
| Beamline | PX-BL21 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-12-12 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.97947 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.730, 88.220, 59.340 |
| Unit cell angles | 90.00, 108.32, 90.00 |
Refinement procedure
| Resolution | 56.330 - 2.800 |
| R-factor | 0.19736 |
| Rwork | 0.196 |
| R-free | 0.22052 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1r8n |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.568 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 56.330 |
| High resolution limit [Å] | 2.800 |
| Rmerge | 0.057 |
| Number of reflections | 9350 |
| <I/σ(I)> | 12 |
| Completeness [%] | 99.6 |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293.15 | 0.1M sodium acetate pH 5, 1M ammonium sulphate |
