2PPP
Crystal structure of E60Q mutant of FKBP12
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2005-11-23 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.04 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 28.602, 62.517, 32.248 |
| Unit cell angles | 90.00, 114.14, 90.00 |
Refinement procedure
| Resolution | 31.270 - 0.940 |
| R-factor | 0.20345 |
| Rwork | 0.203 |
| R-free | 0.22002 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | fkbp native structure solved in this study |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.184 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CCP4 |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.010 |
| High resolution limit [Å] | 0.940 | 0.940 |
| Rmerge | 0.053 | 0.287 |
| Number of reflections | 62089 | |
| <I/σ(I)> | 24.7 | 2.75 |
| Completeness [%] | 89.5 | 85.9 |
| Redundancy | 3.3 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 1.9-2.1 M Sodium Maleonate, 50 mM DMSO, Slow buffer exchange into 2.5 M Sodium Maleoneate no DMSO, in 10 minute steps for freezing, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
