4ITC
Crystal Structure Analysis of the K1 Cleaved Adhesin domain of Lys-gingipain (Kgp) from Porphyromonas gingivalis W83
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-08-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.95370 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.034, 33.321, 67.245 |
| Unit cell angles | 90.00, 93.96, 90.00 |
Refinement procedure
| Resolution | 24.740 - 1.550 |
| R-factor | 0.1546 |
| Rwork | 0.153 |
| R-free | 0.18140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3m1h |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.590 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.1.4) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 3.340 | 1.550 |
| Rmerge | 0.060 | 0.027 | 0.342 |
| Number of reflections | 22016 | ||
| <I/σ(I)> | 13.6 | 45.925 | 4.173 |
| Completeness [%] | 99.9 | 99.6 | 100 |
| Redundancy | 4.7 | 4.8 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 298 | 40 mM KH2PO4, 20% (v/v) glycerol, 16% (w/v) PEG 8000, 1 M guanidine hydrochloride, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
