4ZCW
Structure of Human Enolase 2 in complex with SF2312
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 | 2014-10-16 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.11587 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.300, 109.460, 117.270 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.686 - 1.992 |
R-factor | 0.159 |
Rwork | 0.157 |
R-free | 0.20230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3UCC chain A |
RMSD bond length | 0.018 |
RMSD bond angle | 1.396 |
Data reduction software | iMOSFLM (7.1.1) |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX (1.9-1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 80.020 | 80.020 | 2.040 |
High resolution limit [Å] | 1.990 | 8.910 | 1.990 |
Rmerge | 0.092 | 0.031 | 0.449 |
Rpim | 0.038 | 0.013 | 0.189 |
Total number of observations | 428996 | 5063 | 28844 |
Number of reflections | 60867 | ||
<I/σ(I)> | 13.3 | 26.8 | 3.8 |
Completeness [%] | 100.0 | 99.2 | 99.6 |
Redundancy | 7 | 6.4 | 6.6 |
CC(1/2) | 0.997 | 0.999 | 0.906 |
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, overnight crystal soak in 4 mM SF2312, 100 mM Bis-Tris, 200 mM ammonium acetate, 32% w/v PEG3350, pH 6.5 |