6N1E
Crystal structure of X. citri phosphoglucomutase in complex with 1-methyl-glucose 6-phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2018-03-15 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.00011 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.705, 54.745, 172.432 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.980 - 1.700 |
R-factor | 0.1654 |
Rwork | 0.164 |
R-free | 0.20190 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5kl0 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.893 |
Data reduction software | XDS |
Data scaling software | Aimless |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.220 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.066 | 1.191 |
Rmeas | 0.072 | 1.288 |
Rpim | 0.027 | 0.486 |
Number of reflections | 46460 | 2437 |
<I/σ(I)> | 19.5 | 1.5 |
Completeness [%] | 99.7 | 100 |
Redundancy | 6.9 | 6.9 |
CC(1/2) | 0.999 | 0.652 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 292 | 22% PEG 8000, 0.2 M MgCl2, 0.1 M HEPES, pH 7.5 |