6D3Q
Crystal structure of Escherichia coli enolase complexed with a natural inhibitor SF2312.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 104.751, 142.071, 207.280 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 207.280 - 2.240 |
R-factor | 0.1657 |
Rwork | 0.163 |
R-free | 0.21610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6bfy |
RMSD bond length | 0.017 |
RMSD bond angle | 1.812 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 207.280 | 2.340 |
High resolution limit [Å] | 2.240 | 2.240 |
Rmerge | 0.229 | 0.444 |
Rmeas | 0.250 | |
Rpim | 0.098 | 0.142 |
Number of reflections | 147731 | 17855 |
<I/σ(I)> | 4.6 | |
Completeness [%] | 99.8 | 99.5 |
Redundancy | 6.3 | 10.6 |
CC(1/2) | 0.996 | 0.958 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 2.3 M Ammonium Sulfate, 0.2 M Na/K tartrate, 0.1M Mes pH 6.0 and 2 mM MgCl2 |