9B20
Crystal structure of ADP-ribose diphosphatase from Klebsiella pneumoniae (AMP bound)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 19-ID |
Synchrotron site | NSLS-II |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2024-02-10 |
Detector | DECTRIS EIGER2 XE 9M |
Wavelength(s) | 0.9786 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 49.910, 68.790, 56.663 |
Unit cell angles | 90.00, 115.20, 90.00 |
Refinement procedure
Resolution | 45.160 - 1.550 |
R-factor | 0.166 |
Rwork | 0.164 |
R-free | 0.20320 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.024 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((dev_5243: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.160 | 1.590 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.175 | 1.334 |
Rmeas | 0.190 | 1.439 |
Rpim | 0.072 | 0.536 |
Total number of observations | 337486 | 24961 |
Number of reflections | 48638 | 3505 |
<I/σ(I)> | 7.8 | 1.6 |
Completeness [%] | 96.8 | |
Redundancy | 6.9 | 7.1 |
CC(1/2) | 0.986 | 0.611 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 291 | 33% Peg 3350, 0.1M Tris, pH 8.5, 0.2 M sodium acetate, KlpnC.20447.a.B1.PB00133 at 26 mg/mL. 3 minutue soak in 15 mM AMP. plate Liu-S-102, C1. Puck: PSL-1003, Cryo: direct. |