6L3A
Cytochrome P450 107G1 (RapN) with everolimus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-12-14 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97940 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.028, 126.142, 70.099 |
Unit cell angles | 90.00, 116.46, 90.00 |
Refinement procedure
Resolution | 44.490 - 3.000 |
R-factor | 0.2457 |
Rwork | 0.241 |
R-free | 0.33550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4z5p |
RMSD bond length | 0.006 |
RMSD bond angle | 1.630 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 41761 | 41761 |
<I/σ(I)> | 18.3 | 18.3 |
Completeness [%] | 97.3 | |
Redundancy | 3.2 | |
CC(1/2) | 0.890 | 0.890 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 287.15 | 0.1 M sodium cacodylate, 0.2 M magnesium acetate tetrahydrate, 20% polyethylene glycol 8000 |