6NPF
Structure of E.coli enolase in complex with an analog of the natural product SF-2312 metabolite.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-05-10 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.19499 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 104.180, 143.110, 206.679 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 93.030 - 2.570 |
R-factor | 0.19383 |
Rwork | 0.191 |
R-free | 0.25646 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6d3q |
RMSD bond length | 0.008 |
RMSD bond angle | 1.599 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 93.030 | 2.620 |
High resolution limit [Å] | 2.570 | 2.570 |
Rmerge | 0.075 | 0.396 |
Rmeas | 0.106 | 0.560 |
Rpim | 0.075 | 0.396 |
Number of reflections | 97620 | 4421 |
<I/σ(I)> | 5.9 | 0.7 |
Completeness [%] | 99.4 | 92.9 |
Redundancy | 1.9 | 2 |
CC(1/2) | 0.984 | 0.791 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 2.1 M Ammonium Sulfate, 0.1 M MES buffer pH 6.0, 0.2 M Sodium/Potassium tartrate |