3LGK
D99N Epi-isozizaene synthase
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 | CCD |
Collection date | 2009-12-09 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.144, 81.952, 106.693 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.034 - 1.892 |
R-factor | 0.164 |
Rwork | 0.162 |
R-free | 0.20660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB 3KB9 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.097 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.277 | |
Number of reflections | 28694 | |
<I/σ(I)> | 11.1 | 2.33 |
Completeness [%] | 97.5 | |
Redundancy | 3.3 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 294 | 25% PEG 3350, 100 mM Bis-Tris pH 6.0, 0.2 M (NH4)2SO4, VAPOR DIFFUSION, HANGING DROP, temperature 294K |