4N4Q
Crystal Structure of N-acetylneuraminate lyase from Mycoplasma synoviae, crystal form II
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-03-23 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.89997 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 60.225, 142.441, 80.792 |
Unit cell angles | 90.00, 108.27, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.000 |
R-factor | 0.2413 |
Rwork | 0.239 |
R-free | 0.28300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4n4p |
RMSD bond length | 0.013 |
RMSD bond angle | 1.315 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.16) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 76.718 | 47.480 | 2.110 |
High resolution limit [Å] | 2.000 | 6.330 | 2.000 |
Rmerge | 0.063 | 0.499 | |
Total number of observations | 9537 | 41164 | |
Number of reflections | 85882 | ||
<I/σ(I)> | 6.7 | 6.4 | 1.5 |
Completeness [%] | 99.0 | 99.1 | 97.6 |
Redundancy | 3.5 | 3.4 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | 50 mM MES, pH 6.0, 50 % MPD, vapor diffusion, sitting drop, temperature 277K |