6MLW
Crystal structure of X. citri phosphoglucomutase in complex with 2-fluoro mannosyl-1-methyl-phosphonic acid
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 | 2018-01-31 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.000001 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.781, 54.587, 172.909 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.440 - 1.900 |
R-factor | 0.1922 |
Rwork | 0.189 |
R-free | 0.24890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5bmn |
RMSD bond length | 0.007 |
RMSD bond angle | 0.870 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.640 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 33637 | 2097 |
<I/σ(I)> | 6.2 | 0.7 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 6.9 | 6.9 |
CC(1/2) | 0.991 | 0.334 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 22% PEG 8000, 0.2 M MgCl2, 0.1 M HEPES, pH 7.5 |