5EU9
Structure of Human Enolase 2 in complex with ((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-07-31 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.11587 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 119.251, 110.310, 136.930 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 89.928 - 2.047 |
R-factor | 0.154 |
Rwork | 0.154 |
R-free | 0.19190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4zcw |
RMSD bond length | 0.012 |
RMSD bond angle | 1.039 |
Data reduction software | iMOSFLM (7.1.1) |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 89.930 | 89.930 | 2.080 |
High resolution limit [Å] | 2.050 | 11.210 | 2.050 |
Rmerge | 0.200 | 0.052 | 0.994 |
Rpim | 0.083 | 0.023 | 0.420 |
Total number of observations | 1464678 | 9524 | 64432 |
Number of reflections | 217213 | ||
<I/σ(I)> | 6.4 | 10.4 | 2 |
Completeness [%] | 97.6 | 98.2 | 91.7 |
Redundancy | 6.7 | 6.7 | 6.4 |
CC(1/2) | 0.988 | 0.998 | 0.730 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 100 mM Bis-Tris, pH 6.5, 200 mM ammonium acetate, 18-22% w/v PEG3350, soak overnight in 2 mM compound, 100 mM Bis-Tris, 200 mM ammonium acetate, 32% w/v PEG3350, pH 6.5 |