6LYX
Crystal structure of oxidized ACHT1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | LIQUID ANODE |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-04-02 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9792 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 100.611, 102.537, 92.657 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.930 - 1.696 |
R-factor | 0.1741 |
Rwork | 0.173 |
R-free | 0.18870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zzx |
RMSD bond length | 0.007 |
RMSD bond angle | 1.025 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.760 |
High resolution limit [Å] | 1.690 | 3.660 | 1.700 |
Rmerge | 0.085 | 0.062 | 0.690 |
Rmeas | 0.092 | 0.068 | 0.763 |
Rpim | 0.036 | 0.027 | 0.320 |
Number of reflections | 52914 | 5515 | 5204 |
<I/σ(I)> | 8.9 | ||
Completeness [%] | 99.9 | 99.7 | 99.6 |
Redundancy | 7 | 6.5 | 5.5 |
CC(1/2) | 0.995 | 0.846 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | ammonium sulfate, isopropanol,agarose |