5KDU
ZmpB metallopeptidase in complex with a2,6-Sialyl T-antigen
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-05-27 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97926 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.140, 68.380, 170.940 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 85.470 - 2.000 |
R-factor | 0.17018 |
Rwork | 0.169 |
R-free | 0.20117 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5kdj |
RMSD bond length | 0.012 |
RMSD bond angle | 1.459 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 85.470 | 2.110 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.131 | 0.337 |
Number of reflections | 53306 | |
<I/σ(I)> | 6.9 | 3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.3 | 6.4 |
CC(1/2) | 0.992 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | PEG 3350, Na/K tartrate, HEPES pH 7.5 |