5VP5
Crystal structure of a 3-oxoacyl-acyl-carrier protein reductase FabG4 from Mycobacterium smegmatis bound to NAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-04-29 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 101.580, 60.610, 76.270 |
Unit cell angles | 90.00, 126.69, 90.00 |
Refinement procedure
Resolution | 48.625 - 1.800 |
R-factor | 0.1379 |
Rwork | 0.136 |
R-free | 0.17700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3u0b |
RMSD bond length | 0.006 |
RMSD bond angle | 0.791 |
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] | 48.625 | 48.625 | 1.850 |
High resolution limit [Å] | 1.800 | 8.050 | 1.800 |
Rmerge | 0.035 | 0.025 | 0.127 |
Rmeas | 0.042 | 0.030 | 0.155 |
Number of reflections | 34407 | 415 | 2513 |
<I/σ(I)> | 22.99 | 46.01 | 7.42 |
Completeness [%] | 99.1 | 96.5 | 98.4 |
Redundancy | 3.336 | 3.113 | 2.955 |
CC(1/2) | 0.999 | 0.999 | 0.975 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | MysmA.00010.a.A1.PW28467 at 19.87 mg/mL with 4 mM NAD against MCSG1 screen condition E3 50 mM MgCl2, 0.1 M Hepes pH 7.5, 30% PEG 550 MME soaked overnight with 10 mM NAD, crystal tracking ID 271652e3, unique puck ID hnk3-3 |