8IXH
Pseudomoans aeruginosa Wildtype Ketopantoate Reductase With 3-Methyl-2-oxovalerate at substrate site
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | RRCAT INDUS-2 BEAMLINE PX-BL21 |
Synchrotron site | RRCAT INDUS-2 |
Beamline | PX-BL21 |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2019-02-14 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 192.206, 47.916, 129.233 |
Unit cell angles | 90.00, 129.68, 90.00 |
Refinement procedure
Resolution | 40.845 - 1.950 |
R-factor | 0.1977 |
Rwork | 0.197 |
R-free | 0.22040 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.776 |
Data reduction software | iMOSFLM |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.620 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Number of reflections | 66387 | 6616 |
<I/σ(I)> | 10.7 | |
Completeness [%] | 99.6 | |
Redundancy | 3.8 | |
CC(1/2) | 0.998 | 0.632 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 11% PEG 6000, 100mM Hepes ph 7.5, 200mM MgCl2 |