5HUJ
Crystal Structure of NadE from Streptococcus pyogenes
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-29 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97915 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.786, 92.964, 128.355 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.340 - 2.100 |
R-factor | 0.1589 |
Rwork | 0.156 |
R-free | 0.21068 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5huh |
RMSD bond length | 0.021 |
RMSD bond angle | 1.877 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.109 | 0.772 |
Number of reflections | 32708 | |
<I/σ(I)> | 11.9 | 2.3 |
Completeness [%] | 91.8 | 90.5 |
Redundancy | 5.6 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 293 | 0.1 M Tris, 20% PEG 4000, 0.2 M MgCl2 |