5IDZ
Structure of Human Enolase 2 in complex with (S)-(1-hydroxy-2-oxopiperidin-3-yl)phosphonate
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 | 2014-10-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.11587 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.100, 108.740, 116.460 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.370 - 2.630 |
R-factor | 0.165 |
Rwork | 0.162 |
R-free | 0.21810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4zcw |
RMSD bond length | 0.004 |
RMSD bond angle | 0.692 |
Data reduction software | iMOSFLM (7.1.1) |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX (1.9-1662) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 79.480 | 79.480 | 2.750 |
High resolution limit [Å] | 2.630 | 9.110 | 2.630 |
Rmerge | 0.089 | 0.036 | 0.339 |
Rmeas | 0.097 | ||
Rpim | 0.036 | ||
Total number of observations | 182044 | ||
Number of reflections | 26400 | ||
<I/σ(I)> | 15.6 | ||
Completeness [%] | 99.9 | 99.5 | 99.3 |
Redundancy | 6.9 | 6.4 | 6.6 |
CC(1/2) | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 200 mM ammonium acetate, 100 mM Bis-Tris, 18-22% w/v PEG3350, 6.5, overnight crystal soak in reservoir solution supplemented with 4 mM compound |