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 |