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 |
