6JKO
Crystal structure of sulfoacetaldehyde reductase from Bifidobacterium kashiwanohense
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-09-29 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.468, 112.502, 93.406 |
Unit cell angles | 90.00, 107.33, 90.00 |
Refinement procedure
Resolution | 32.300 - 1.900 |
R-factor | 0.1573 |
Rwork | 0.157 |
R-free | 0.19270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1vhd |
Data reduction software | HKL-3000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.14_3247) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
Rmerge | 0.082 | 0.035 | 0.604 |
Rmeas | 0.097 | 0.042 | 0.715 |
Rpim | 0.052 | 0.022 | 0.378 |
Number of reflections | 108665 | 5533 | 5387 |
<I/σ(I)> | 4.3 | ||
Completeness [%] | 99.9 | 99.6 | 100 |
Redundancy | 3.4 | 3.3 | 3.5 |
CC(1/2) | 0.998 | 0.669 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298.15 | 0.2 M Ammonium acetate, 0.1 M BIS-TRIS, pH 5.5 25% W/V PEG 3350. |