2XIC
Pilus-presented adhesin, Spy0125 (Cpa), P212121 form (ESRF data)
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 21 21 21 |
| Unit cell lengths | 43.100, 113.320, 175.360 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 95.180 - 2.900 |
| R-factor | 0.233 |
| Rwork | 0.231 |
| R-free | 0.27400 |
| Structure solution method | MAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.909 |
| 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] | 56.660 | 3.060 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.110 | 0.360 |
| Number of reflections | 19907 | |
| <I/σ(I)> | 13.2 | 5.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.2 | 7.3 |
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 REMARK 280 MM MES PH 6.0 - 6.5 |
