7K73
Structure of Enoyl-[acyl-carrier-protein] reductase [NADH] from Mycobacterium fortuitum bound to NAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-07-11 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 74.940, 90.860, 91.910 |
Unit cell angles | 90.00, 90.96, 90.00 |
Refinement procedure
Resolution | 38.850 - 1.800 |
R-factor | 0.1466 |
Rwork | 0.146 |
R-free | 0.17660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2h7i |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.850 | 38.850 | 1.850 |
High resolution limit [Å] | 1.800 | 8.050 | 1.800 |
Rmerge | 0.050 | 0.028 | 0.268 |
Rmeas | 0.058 | 0.033 | 0.317 |
Total number of observations | 429032 | ||
Number of reflections | 112564 | 1317 | 8118 |
<I/σ(I)> | 18.24 | 40.8 | 4.34 |
Completeness [%] | 98.7 | 97.6 | 96.2 |
Redundancy | 3.811 | 3.557 | 3.405 |
CC(1/2) | 0.999 | 0.998 | 0.936 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 294 | MCSG-1 H3: 0.2 M Lithium Acetate, 20% (w/v) PEG 3350 + 5 mM NAD (BSI1606), 28.49 mg/mL MyfoA.00170.a.B1.PS38584 cryo: 20% EG |