6VHW
Klebsiella oxytoca NpsA N-terminal subdomain in complex with 3-hydroxybenzoyl-AMSN
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-24 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.03322 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 77.436, 60.284, 80.253 |
Unit cell angles | 90.00, 101.01, 90.00 |
Refinement procedure
Resolution | 78.780 - 1.830 |
R-factor | 0.2025 |
Rwork | 0.201 |
R-free | 0.23120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6vhu |
RMSD bond length | 0.007 |
RMSD bond angle | 0.913 |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.15_3459) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 78.780 | 1.870 |
High resolution limit [Å] | 1.830 | 1.830 |
Rmeas | 0.103 | 2.354 |
Rpim | 0.039 | 0.890 |
Number of reflections | 60901 | 3129 |
<I/σ(I)> | 10.8 | |
Completeness [%] | 95.2 | 98.5 |
Redundancy | 6.7 | 6.8 |
CC(1/2) | 0.998 | 0.320 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | well solution: 100 mM HEPES pH 7.5, 150 mM KBr, 30% w/v PEG3350, protein solution (15 mg/mL): 50 mM HEPES pH 8.0, 150 mM NaCl, 0.2 mM TCEP, hanging drops: 1 uL protein solution, 1 uL well solution |