4LEB
Structure of the Als3 adhesin from Candida albicans, residues 1-299 (mature sequence) in complex with hepta-threonine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-06-03 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.91730 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.360, 58.180, 57.180 |
| Unit cell angles | 90.00, 114.49, 90.00 |
Refinement procedure
| Resolution | 29.090 - 1.400 |
| R-factor | 0.14046 |
| Rwork | 0.140 |
| R-free | 0.17830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4le8 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.762 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 52.036 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.054 | 0.179 |
| Number of reflections | 53890 | |
| <I/σ(I)> | 6.6 | 7.7 |
| Completeness [%] | 92.2 | 89.9 |
| Redundancy | 3.4 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.6 | 293.15 | 20% v/v PEG400, 30% w/v PEG4000, 100 mM sodium citrate, 50 mM ammonium acetate, pH 5.6, VAPOR DIFFUSION, temperature 293.15K |
