2XI9
Pilus-presented adhesin, Spy0125 (Cpa), P1 form
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-13 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 35.480, 66.460, 101.800 |
| Unit cell angles | 86.06, 90.06, 75.08 |
Refinement procedure
| Resolution | 34.110 - 1.900 |
| R-factor | 0.207 |
| Rwork | 0.206 |
| R-free | 0.23200 |
| Structure solution method | MAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.411 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHENIX (AUTOSOL) |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.070 | 0.320 |
| Number of reflections | 66113 | |
| <I/σ(I)> | 15.4 | 5 |
| Completeness [%] | 93.6 | 74.9 |
| Redundancy | 7 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.75 | 38 - 40 % PEG 4000, 200 MM SODIUM ACETATE AND 100 MM TRI-SODIUM CITRATE PH 5.6 - 5.9; 34 TO 36 % PEG 5000-MME, 100 MM AMMONIUM SULPHATE, 100 MM MES PH 6.0 - 6.5 |
