5KUN
Human cyclophilin A at 100K, Data set 2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-04-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.100 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.365, 52.586, 89.281 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.032 - 1.700 |
R-factor | 0.1754 |
Rwork | 0.174 |
R-free | 0.20840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5f66 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.803 |
Data reduction software | XDS |
Data scaling software | Aimless (0.1.26) |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.270 | 1.510 |
High resolution limit [Å] | 1.480 | 1.480 |
Rmerge | 0.056 | 0.572 |
Rmeas | 0.068 | |
Rpim | 0.039 | |
Total number of observations | 87893 | |
Number of reflections | 31566 | |
<I/σ(I)> | 14.8 | |
Completeness [%] | 93.5 | 51.1 |
Redundancy | 2.8 | 2.2 |
CC(1/2) | 0.997 | 0.619 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | CRYSTALS WERE GROWN BY MIXING EQUAL VOLUMES OF WELL SOLUTION (100 MM HEPES PH 7.5, 23% PEG 3350, 5 MM TCEP) AND PROTEIN (60 MG/ML IN 20 MM HEPES PH 7.5, 100 MM NACL, 0.5 MM TCEP) IN THE HANGING-DROP FORMAT. |