6M3S
Dimeric isocitrate dehydrogenase from Xanthomonas campestris pv. campestris 8004
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-05-24 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9791 |
Spacegroup name | P 63 |
Unit cell lengths | 143.735, 143.735, 65.289 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.330 - 2.300 |
R-factor | 0.1775 |
Rwork | 0.175 |
R-free | 0.22480 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5grh |
RMSD bond length | 0.014 |
RMSD bond angle | 1.788 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.340 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.134 | 0.501 |
Rpim | 0.058 | |
Number of reflections | 34265 | 1733 |
<I/σ(I)> | 22.3 | 3.44 |
Completeness [%] | 99.2 | 99.7 |
Redundancy | 6.1 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 0.2M Ammonium Acetate, 0.1M Bis-Tris pH 6.5, 25% PEG 3350, 4 mM DL-Isocitrate, 4 mM NAD, 2 mM CaCl2 |