6K0Z
Substrate bound state of Staphylococcus Aureus AldH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-10-12 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 176.444, 176.444, 95.755 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.877 - 2.497 |
R-factor | 0.236562657177 |
Rwork | 0.235 |
R-free | 0.26113 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.056 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (1.10.1_2155) |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.586 |
High resolution limit [Å] | 2.490 | 2.497 |
Number of reflections | 22379 | 22579 |
<I/σ(I)> | 11.24 | |
Completeness [%] | 84.0 | |
Redundancy | 1.9 | |
CC(1/2) | 0.985 | 0.500 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1M lithium sulfate, 100mM sodium cacodylate trihyrate |