7KJD
F96M epi-isozizaene synthase: complex with 3 Mg2+ and risedronate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-06-26 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.978 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.820, 47.080, 75.410 |
Unit cell angles | 90.00, 96.31, 90.00 |
Refinement procedure
Resolution | 52.500 - 1.500 |
R-factor | 0.2163 |
Rwork | 0.215 |
R-free | 0.24580 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kb9 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.767 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.500 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 58620 | 2892 |
<I/σ(I)> | 6.1 | |
Completeness [%] | 99.1 | |
Redundancy | 3.3 | |
CC(1/2) | 0.982 | 0.694 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | 0.08 mM Bis-Tris, pH 5.5, 0.02 mM Bis-Tris, pH 7.5, 0.2 M ammonium sulfate, 26% PEG3350, 2% w/v benzamidine HCl |