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 |