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 |
