5X6R
Crystal structure of Saccharomyces cerevisiae KMO in complex with Ro 61-8048
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-12-01 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.878, 99.764, 84.693 |
Unit cell angles | 90.00, 105.45, 90.00 |
Refinement procedure
Resolution | 30.797 - 1.911 |
R-factor | 0.2125 |
Rwork | 0.211 |
R-free | 0.25970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4j33 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.137 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.797 | 1.940 |
High resolution limit [Å] | 1.910 | 1.910 |
Rmerge | 0.405 | |
Rmeas | 0.438 | |
Rpim | 0.240 | |
Number of reflections | 72243 | 3550 |
<I/σ(I)> | 27.19 | 4.16 |
Completeness [%] | 99.0 | 100 |
Redundancy | 3.6 | 3.2 |
CC(1/2) | 0.899 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | 0.1 M sodium acetate, pH 4.6, 0.1 M NaCl, and 12% isopropanol |