6T6P
Crystal structure of Klebsiella pneumoniae FabG2(NADH-dependent) at 1.57 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-07-27 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97626 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.639, 94.358, 151.068 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 80.030 - 1.570 |
R-factor | 0.1519 |
Rwork | 0.151 |
R-free | 0.17020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jro |
RMSD bond length | 0.017 |
RMSD bond angle | 1.704 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 80.030 | 1.600 |
High resolution limit [Å] | 1.570 | 1.570 |
Rmerge | 0.053 | 0.305 |
Rmeas | 0.070 | 0.418 |
Rpim | 0.045 | 0.284 |
Number of reflections | 137268 | 4795 |
<I/σ(I)> | 11.6 | 2.1 |
Completeness [%] | 96.0 | 69.2 |
Redundancy | 3.9 | |
CC(1/2) | 0.997 | 0.845 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 297 | 0.2 M NH4H2PO4 0.1 M Tris-HCl pH 8.5 50 %v/v MPD |