7O9P
Crystal structure of the Awp3b (adhesin-like wall protein 3b) A-domain from Candida glabrata showing a gadolinium cluster
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-06-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.71237 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 144.397, 144.397, 113.950 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.420 - 1.990 |
| R-factor | 0.1705 |
| Rwork | 0.169 |
| R-free | 0.20990 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.689 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | CRANK2 |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 84.200 | 84.200 | 2.050 |
| High resolution limit [Å] | 1.990 | 8.940 | 2.000 |
| Rmerge | 0.104 | 0.067 | 0.549 |
| Rmeas | 0.107 | 0.069 | 0.567 |
| Rpim | 0.025 | 0.016 | 0.138 |
| Total number of observations | 7734 | 36643 | |
| Number of reflections | 30650 | 387 | 2229 |
| <I/σ(I)> | 18.8 | 61.2 | 4.9 |
| Completeness [%] | 99.8 | 100 | 99.4 |
| Redundancy | 18.2 | 20 | 16.4 |
| CC(1/2) | 0.998 | 0.995 | 0.807 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.2 M magnesium chloride, 0.1 M Tris pH 7.0, 3.0 M sodium chloride crystals soaked with 50 mM gadolinium (III) acetate |
