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 |