5K4X
M. thermoresistible IMPDH in complex with IMP and Compound 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 77 |
Detector technology | PIXEL |
Collection date | 2015-08-06 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9200 |
Spacegroup name | I 4 |
Unit cell lengths | 88.743, 88.743, 84.973 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 61.370 - 1.370 |
R-factor | 0.1993 |
Rwork | 0.199 |
R-free | 0.21250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | IMPDH |
RMSD bond length | 0.009 |
RMSD bond angle | 1.154 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 61.370 | |
High resolution limit [Å] | 1.370 | 1.370 |
Rmerge | 0.104 | 0.900 |
Number of reflections | 68980 | |
<I/σ(I)> | 9.2 | |
Completeness [%] | 100.0 | |
Redundancy | 8.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 292 | 100mM sodium acetate pH 5.5, 200mM calcium chloride, 8-14% iso-propanol |