6D6J
Crystal structure of HIT family hydrolase from Legionella pneumophila Philadelphia 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-04-04 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.510, 56.480, 83.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.748 - 1.350 |
R-factor | 0.1265 |
Rwork | 0.126 |
R-free | 0.14040 |
Structure solution method | SAD |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((dev_3092)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.748 | 46.748 | 1.390 |
High resolution limit [Å] | 1.350 | 6.040 | 1.350 |
Rmerge | 0.025 | 0.021 | 0.131 |
Rmeas | 0.026 | 0.021 | 0.150 |
Total number of observations | 949324 | ||
Number of reflections | 57465 | 745 | 3640 |
<I/σ(I)> | 68.78 | 199.69 | 8.52 |
Completeness [%] | 98.7 | 100 | 85.6 |
Redundancy | 16.52 | 36.187 | 3.768 |
CC(1/2) | 1.000 | 0.999 | 0.983 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 285 | Molecular Dimensions Morpheus screen, B6: 10% PEG 8.000, 20% EG: 30mM of each Sodium Fluoride, Sodium Bromide, Sodium iodide: 100mM MOPS/HEPES pH 7.5: LepnA.00754.a.B1 at 7.4mg/ml: cryo: direct: tray 297411b6: puck hop6-3 |