7TWZ
Crystal Structure of NADP-linked putative oxidoreductase from Klebsiella pneumoniae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-03-12 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 |
Unit cell lengths | 83.150, 89.100, 89.710 |
Unit cell angles | 119.63, 90.13, 92.13 |
Refinement procedure
Resolution | 44.920 - 2.100 |
R-factor | 0.1834 |
Rwork | 0.183 |
R-free | 0.21660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4r9o |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MoRDa |
Refinement software | PHENIX (4438) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 44.920 | 44.920 | 2.150 |
High resolution limit [Å] | 2.100 | 9.390 | 2.100 |
Rmerge | 0.053 | 0.021 | 0.319 |
Rmeas | 0.071 | 0.029 | 0.429 |
Total number of observations | 270116 | ||
Number of reflections | 123745 | 1355 | 9125 |
<I/σ(I)> | 11.6 | 29.87 | 2.51 |
Completeness [%] | 94.5 | 91.4 | 94.4 |
Redundancy | 2.183 | 2.14 | 2.004 |
CC(1/2) | 0.997 | 0.997 | 0.829 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 290 | Protein at 30 mg/mL was mixed 1:1 (0.2 uL protein and 0.2 uL precipitant) with 85 mM sodium citrate/HCl pH 8.5, 25.5% (w/v) PEG4000, 15% glycerol, and 170 mM sodium acetate (JCSG TOP96 A11). Cryo: Direct. Puck: wnf8-9 |