7LKK
Crystal structure of Helicobacter pylori aminofutalosine deaminase (AFLDA) in complex with Methylthio-coformycin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-11-20 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 72.905, 73.072, 157.440 |
Unit cell angles | 90.00, 98.30, 90.00 |
Refinement procedure
Resolution | 28.591 - 1.890 |
R-factor | 0.233 |
Rwork | 0.231 |
R-free | 0.26850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3v7p |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 155.790 | 1.920 |
High resolution limit [Å] | 1.890 | 1.890 |
Rmerge | 0.120 | 0.680 |
Number of reflections | 129546 | 6388 |
<I/σ(I)> | 6.5 | 1.9 |
Completeness [%] | 98.8 | |
Redundancy | 3.8 | |
CC(1/2) | 0.990 | 0.660 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 100 mM sodium acetate pH 4.6 and 8% w/v polyethylene glycol 4,000 |