5VPS
Crystal structure of an SDR from Burkholderia ambifaria in complex with NADPH with a TCEP adduct
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-05-03 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.000 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 64.090, 64.090, 119.170 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.000 - 1.450 |
R-factor | 0.149 |
Rwork | 0.148 |
R-free | 0.16400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5idx |
RMSD bond length | 0.006 |
RMSD bond angle | 1.146 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX ((DEV_2744: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.490 |
High resolution limit [Å] | 1.450 | 6.480 | 1.450 |
Rmerge | 0.051 | 0.022 | 0.574 |
Rmeas | 0.023 | 0.619 | |
Number of reflections | 44832 | 596 | 3280 |
<I/σ(I)> | 30 | 76.59 | 3.44 |
Completeness [%] | 100.0 | 99.2 | 100 |
Redundancy | 10.158 | 9.089 | 7.15 |
CC(1/2) | 1.000 | 1.000 | 0.863 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | MCSG1 G4 (291317g4): 100mM Potassium tartrate, 20% PEG3350, 8mM NADP, protein conc. 20.8mg/mL, cryo 20% ethylene glycol: puck ID opk4-15 |