6D3W
Chromosomal trehalose-6-phosphate phosphatase from P. aeruginosa
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 | 2018-02-22 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97957 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 74.030, 66.847, 75.263 |
Unit cell angles | 90.00, 119.48, 90.00 |
Refinement procedure
Resolution | 24.200 - 1.900 |
R-factor | 0.1777 |
Rwork | 0.176 |
R-free | 0.21930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6cj0 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.837 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.250 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.076 | 0.527 |
Rmeas | 0.096 | 0.698 |
Rpim | 0.044 | 0.323 |
Number of reflections | 50404 | 7303 |
<I/σ(I)> | 9.7 | 2.7 |
Completeness [%] | 99.7 | 99.8 |
Redundancy | 4.5 | 4.5 |
CC(1/2) | 0.997 | 0.801 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 289 | 0.2 M MGCL2, 20% PEG 6000, 0.1 M MES |