5CJU
Isobutyryl-CoA mutase fused with bound adenosylcobalamin, GDP, Mg (holo-IcmF/GDP), and substrate n-butyryl-coenzyme A
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 | 2011-12-17 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9795 |
Spacegroup name | H 3 2 |
Unit cell lengths | 316.760, 316.760, 342.670 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.819 - 3.500 |
R-factor | 0.1864 |
Rwork | 0.185 |
R-free | 0.20880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xc6 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.592 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 3.590 |
High resolution limit [Å] | 3.500 | 3.500 |
Number of reflections | 81568 | |
<I/σ(I)> | 12.7 | 2 |
Completeness [%] | 98.4 | 99.2 |
Redundancy | 5.1 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | precipitant: 700 mM potassium sodium tartrate, 200 mM ammonium acetate, 100 mM imidazole pH 7.0. 3% (v/v) ethylene glycol additive in drop solution only. protein in 100 mM NaCl, 50 mM HEPES pH 7.5, 1 mM GDP, 3 mM MgCl2, 0.3 mM adenosylcobalamin, mixed with precipitant 1 uL + 1 uL set up under red light, grown in the dark, soaked with 5 mM n-butyryl-coenzyme A for 30 s |