6SEP
Crystal Structure of the Homospermidine Synthase (HSS) variant W229E from Blastochloris viridis in Complex with NAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-04-22 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 60.170, 109.864, 158.190 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 90.310 - 2.200 |
R-factor | 0.1957 |
Rwork | 0.193 |
R-free | 0.24500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4plp |
RMSD bond length | 0.003 |
RMSD bond angle | 0.605 |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 109.860 | 1.910 |
High resolution limit [Å] | 1.870 | 1.870 |
Rmeas | 1.234 | 0.777 |
Number of reflections | 85769 | 3354 |
<I/σ(I)> | 2.1 | |
Completeness [%] | 98.7 | |
Redundancy | 10.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 291 | Sodium acetate, Ammonium acetate, PEG 10000, NDSB-201, Agmatine sulfate |