5XDH
His/DOPA ligated cytochrome c from an anammox organism KSU-1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-12-11 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.9 |
Spacegroup name | P 1 |
Unit cell lengths | 42.794, 47.687, 48.993 |
Unit cell angles | 96.46, 99.01, 102.13 |
Refinement procedure
Resolution | 47.840 - 1.320 |
R-factor | 0.1559 |
Rwork | 0.155 |
R-free | 0.17520 |
Structure solution method | SAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.822 |
Data scaling software | HKL-2000 |
Phasing software | AutoSol |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.340 |
High resolution limit [Å] | 1.320 | 3.580 | 1.320 |
Rmerge | 0.044 | 0.028 | 0.304 |
Rmeas | 0.051 | 0.033 | 0.351 |
Rpim | 0.026 | 0.017 | 0.176 |
Number of reflections | 83160 | ||
<I/σ(I)> | 16 | ||
Completeness [%] | 96.3 | 96.9 | 94.1 |
Redundancy | 4 | 3.9 | 4 |
CC(1/2) | 0.998 | 0.942 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 3.2M ammonium sulfate, 200mM Potassium sodium tartrate, 100mM Sodium acetate | |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 3.2M ammonium sulfate, 200mM Potassium sodium tartrate, 100mM Sodium acetate |