4USX
The Structure of the C-terminal YadA-like domain of BPSL2063 from Burkholderia pseudomallei
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-27 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.115, 58.852, 74.407 |
| Unit cell angles | 90.00, 104.65, 90.00 |
Refinement procedure
| Resolution | 39.690 - 1.800 |
| R-factor | 0.1703 |
| Rwork | 0.169 |
| R-free | 0.20420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3laa |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.022 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.080 | 0.420 |
| Number of reflections | 48598 | |
| <I/σ(I)> | 14.8 | 2.9 |
| Completeness [%] | 99.0 | 93.3 |
| Redundancy | 4.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4 | PACT PREMIER (MOLECULAR DIMENSIONS) CONDITION D1 (0.1M MALIC ACID, MES AND TRIS (MMT) BUFFER PH 4.0, 25% PEG1500. CRYSTALS WERE CRYOCOOLED IN MOTHER LIQUOR CONTAINING 40% PEG1500 |
