4IQL
Crystal Structure of Porphyromonas gingivalis Enoyl-ACP Reductase II (FabK) with cofactors NADPH and FMN
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 | 2012-08-10 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.9787 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.652, 86.652, 150.505 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.938 |
R-factor | 0.16331 |
Rwork | 0.161 |
R-free | 0.20695 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2z6j |
RMSD bond length | 0.017 |
RMSD bond angle | 1.606 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.050 |
High resolution limit [Å] | 1.938 | 1.938 |
Rmerge | 0.134 | 0.538 |
Number of reflections | 90851 | |
<I/σ(I)> | 15.2 | 4.19 |
Completeness [%] | 99.5 | 97.5 |
Redundancy | 7.1 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 20% PEG 3350, 0.2M sodium formate, 5mM MOPS (pH 7.0), 1mM DTT. 3uL(protein stock):3uL(Index 90):1uL Seed stock. (Seed Stock From: 10% PEG 3350, 0.15M Na Citrate pH 5.6), VAPOR DIFFUSION, HANGING DROP, temperature 291K |