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 |
