6NIC
Crystal Structure of Medicago truncatula Agmatine Iminohydrolase (Deiminase) in Complex with 6-aminohexanamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-06-15 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.00 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 142.445, 142.445, 345.429 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.190 - 2.200 |
R-factor | 0.16603 |
Rwork | 0.165 |
R-free | 0.20416 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vkp |
RMSD bond length | 0.018 |
RMSD bond angle | 1.865 |
Data reduction software | XDS (VERSION Jan 26, 2018) |
Data scaling software | STARANISO |
Phasing software | PHASER (2.8.2) |
Refinement software | REFMAC (5.8.0222) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.190 | 2.380 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.120 | 0.726 |
Rmeas | 0.130 | |
Rpim | 0.040 | 0.290 |
Number of reflections | 80033 | 4106 |
<I/σ(I)> | 13.1 | 2.7 |
Completeness [%] | 94.7 | 68.2 |
Redundancy | 7.9 | 6.9 |
CC(1/2) | 0.998 | 0.814 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 292 | 70% of 37th condition of Morpheus Screen (04 mM Alcohols, 70 mM Buffer System 1 at pH 6.5, 35% Precipitant Mix 1) |