5KD8
BT_4244 metallopeptidase in complex with Tn 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 | 2015-10-08 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.984 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 87.450, 88.230, 98.650 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.720 - 2.300 |
R-factor | 0.20212 |
Rwork | 0.200 |
R-free | 0.24200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5kd2 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.320 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.720 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.080 | 0.568 |
Number of reflections | 34533 | |
<I/σ(I)> | 16.4 | 3.3 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 10.1 | 10.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | PEG 3350, NaH2PO4, Tris-HCl pH 8.0 |