8R5K
The Fk1 domain of FKBP51 in complex with Antascomicine B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.850 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.010, 54.890, 56.590 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.740 - 0.890 |
| R-factor | 0.14397 |
| Rwork | 0.144 |
| R-free | 0.15007 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.400 | 0.900 |
| High resolution limit [Å] | 0.890 | 0.890 |
| Number of reflections | 101663 | 4946 |
| <I/σ(I)> | 8.7 | |
| Completeness [%] | 100.0 | |
| Redundancy | 1.9 | |
| CC(1/2) | 0.983 | 0.678 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 32 % PEG-3350, 0.2 M NH4-acetate and 0.1 M HEPES-NaOH pH 7.5 Macroseeding after 21 d, big crystalls after further 3 d |
