3PE5
Three-dimensional Structure of protein A7VV38_9CLOT from Clostridium leptum DSM 753, Northeast Structural Genomics Consortium Target QlR103
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-12 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97903 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.778, 49.617, 105.282 |
Unit cell angles | 90.00, 106.35, 90.00 |
Refinement procedure
Resolution | 35.397 - 2.381 |
R-factor | 0.214 |
Rwork | 0.211 |
R-free | 0.27900 |
Structure solution method | SAD |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHENIX |
Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.074 | 0.337 |
Number of reflections | 52123 | |
<I/σ(I)> | 13.8 | 2.6 |
Completeness [%] | 95.5 | 85 |
Redundancy | 3.5 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | microbatch under oil | 6 | 293 | Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5). Reservoir solution:0.1M MgCl2, 0.1M MES, PEG 4000 20% /w/v), microbatch under oil, temperature 293K |