5ZJM
Crystal structure of N-acetylneuraminate lyase from Fusobacterium nucleatum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-04-12 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.978875 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 105.165, 108.977, 141.137 |
Unit cell angles | 90.00, 96.88, 90.00 |
Refinement procedure
Resolution | 47.108 - 2.323 |
R-factor | 0.2044 |
Rwork | 0.202 |
R-free | 0.24510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4imc |
Data reduction software | XDS |
Data scaling software | Aimless (0.6.2) |
Phasing software | PHENIX |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.240 | 49.240 | 2.380 |
High resolution limit [Å] | 2.320 | 10.900 | 2.320 |
Rmerge | 0.040 | 0.025 | 0.466 |
Rmeas | 0.051 | 0.031 | 0.600 |
Rpim | 0.032 | 0.019 | 0.371 |
Number of reflections | 64567 | 650 | 4304 |
<I/σ(I)> | 10.3 | ||
Completeness [%] | 94.9 | 94.3 | 94.3 |
Redundancy | 2.3 | 2.4 | 2.3 |
CC(1/2) | 0.998 | 0.998 | 0.876 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 293 | 0.1M CHES, pH 9.5 , 10%(w/v) PEG 3000 and 5mM ATP |