8J2A
Structure of the C-terminal subenzyme of the malonyl-CoA reductase from Chloroflexus aurantiacus, in complex with NADP+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-01-09 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97849 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 86.990, 139.940, 73.910 |
Unit cell angles | 90.00, 98.61, 90.00 |
Refinement procedure
Resolution | 24.890 - 1.700 |
R-factor | 0.172 |
Rwork | 0.171 |
R-free | 0.19100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 0.940 |
Data reduction software | XDS (Jan 26, 2018, built on 20180409) |
Data scaling software | Aimless (version 0.5.29) |
Phasing software | PHASER (2.7.17) |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 69.968 | 1.726 |
High resolution limit [Å] | 1.696 | 1.696 |
Rmeas | 0.063 | 0.853 |
Rpim | 0.024 | 0.320 |
Number of reflections | 95052 | 4737 |
<I/σ(I)> | 17 | 2.1 |
Completeness [%] | 98.7 | 98.4 |
Redundancy | 6.9 | 7 |
CC(1/2) | 0.999 | 0.858 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | The protein in complex with NADP+ was crystallized in drops containing 1.5 ul protein solution (15 mg/ml protein+2.6 mM NADP disodium salt, incubated at 4 degrees for 1 h) and 1.5 ul reservoir solution (100 mM HEPES pH 7.0, 20% w/v poly(acrylic acid sodium) 5100, 5 mM MgCl2) |