6P2I
Acyclic imino acid reductase (Bsp5) in complex with NADPH and D-Arg
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-26 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.303, 96.760, 102.860 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.190 - 1.630 |
R-factor | 0.1583 |
Rwork | 0.157 |
R-free | 0.19380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5tx7 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.938 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.480 | 1.660 |
High resolution limit [Å] | 1.630 | 1.630 |
Rpim | 0.027 | 0.406 |
Number of reflections | 89107 | 4522 |
<I/σ(I)> | 14.4 | |
Completeness [%] | 99.8 | |
Redundancy | 12 | |
CC(1/2) | 0.999 | 0.828 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 20% (w/v) PEG 3350, 0.2 M sodium tartrate dibasic |