4LEE
Structure of the Als3 adhesin from Candida albicans, residues 1-313 (mature sequence), triple mutant in the binding cavity: K59M, A116V, Y301F
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-02-28 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.97900 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 112.560, 67.090, 112.690 |
| Unit cell angles | 90.00, 103.55, 90.00 |
Refinement procedure
| Resolution | 48.330 - 3.000 |
| R-factor | 0.22937 |
| Rwork | 0.229 |
| R-free | 0.24207 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4le8 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.439 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.330 | 3.080 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.097 | 0.398 |
| Number of reflections | 32262 | |
| <I/σ(I)> | 9.6 | 2.7 |
| Completeness [%] | 97.5 | 95.5 |
| Redundancy | 2.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 293.15 | 25% w/v PEG4000, 30% v/v ethylene glycol, pH 8, VAPOR DIFFUSION, temperature 293.15K |
