5KDS
ZmpB metallopeptidase in complex with an O-glycopeptide (a2,6-sialylated core-3 pentapeptide).
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-28 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.9790 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.180, 68.950, 171.570 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.600 |
R-factor | 0.1595 |
Rwork | 0.158 |
R-free | 0.18550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5kdj |
RMSD bond length | 0.015 |
RMSD bond angle | 1.657 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.690 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.054 | 0.354 |
Number of reflections | 99964 | |
<I/σ(I)> | 20.9 | 4.6 |
Completeness [%] | 96.0 | 76 |
Redundancy | 7.2 | 5.7 |
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 |