6JIE
YaeO bound to Magnesium from Vibrio cholerae O395
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] | 100 |
Detector technology | CCD |
Collection date | 2015-10-14 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 |
Unit cell lengths | 28.936, 34.356, 42.371 |
Unit cell angles | 90.07, 104.48, 105.49 |
Refinement procedure
Resolution | 19.476 - 1.750 |
R-factor | 0.1686 |
Rwork | 0.166 |
R-free | 0.20850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pno |
RMSD bond length | 0.015 |
RMSD bond angle | 0.807 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.14) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.920 | 40.920 | 1.780 |
High resolution limit [Å] | 1.750 | 9.090 | 1.750 |
Rmerge | 0.056 | 0.045 | 0.294 |
Total number of observations | 48453 | ||
Number of reflections | 14765 | 104 | 678 |
<I/σ(I)> | 15.7 | ||
Completeness [%] | 96.4 | 96.3 | 80.3 |
Redundancy | 3.3 | 3.1 | 3.1 |
CC(1/2) | 0.997 | 0.993 | 0.912 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.2M Magnesium chloride hexahydrate, 0.1M Tris hydrochloride pH 8.5, 30% (W/V) Polyethylene glycol 4,000. |