5HW6
Candida albicans FKBP12 apo protein in C2 space group
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-21 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 99.474, 42.980, 70.696 |
| Unit cell angles | 90.00, 128.22, 90.00 |
Refinement procedure
| Resolution | 25.960 - 2.401 |
| R-factor | 0.1818 |
| Rwork | 0.177 |
| R-free | 0.22210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.861 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
| Rmerge | 0.101 | 0.067 | 0.197 |
| Total number of observations | 30224 | ||
| Number of reflections | 9189 | ||
| <I/σ(I)> | 13.1 | ||
| Completeness [%] | 98.2 | 97.4 | 93.8 |
| Redundancy | 3.3 | 3.4 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 25% PEG 8000, 0.1 M Sodium acetate pH 4.5 and 0.2M Lithium Sulfate |
