2XID
Pilus-presented adhesin, Spy0125 (Cpa), P212121 form (DLS)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-02 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.810, 117.500, 177.750 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 98.060 - 2.650 |
| R-factor | 0.229 |
| Rwork | 0.227 |
| R-free | 0.26500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xic |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.421 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.000 | 2.790 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.110 | 0.410 |
| Number of reflections | 28853 | |
| <I/σ(I)> | 18.6 | 8.2 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 16.7 | 17.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.75 | 38-40% PEG-4000, 200 MM SODIUM ACETATE, 100 MM TRISODIUM CITRATE PH 5.6-5.9; 34-36% PEG-5000MME, 100 MM AMMONIUM SULPHATE, 100 MM MES PH 6.0-6.5 |
