8U91
Crystal structure of N-acetylneuraminate lyase (NanA) from Klebsiella aerogenes (Apo, Orthorhombic P form)
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 | 2023-02-20 |
Detector | DECTRIS EIGER2 XE 9M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 95.101, 146.566, 216.916 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.660 - 2.650 |
R-factor | 0.1822 |
Rwork | 0.180 |
R-free | 0.22220 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.497 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.21rc1_4933: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.860 | 2.700 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.189 | 1.892 |
Rmeas | 0.196 | 1.961 |
Rpim | 0.053 | 0.513 |
Total number of observations | 1230081 | 65115 |
Number of reflections | 88752 | 4481 |
<I/σ(I)> | 12.4 | 1.8 |
Completeness [%] | 100.0 | |
Redundancy | 13.9 | 14.5 |
CC(1/2) | 0.998 | 0.796 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | JCSG+ B5: 0.1 M Na cacodylate pH 6.5, 40% MPD, 5% PEG 8000. KlaeA.01563.a.B1.PW39186 at 18.6 mg/mL. Plate 13190, B5 drop 1. Puck: PSL-1401, Cryo: direct |