5BWD
Benzylsuccinate alpha-gamma bound to fumarate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X26C |
Synchrotron site | NSLS |
Beamline | X26C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-19 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.00000 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 154.862, 154.862, 82.117 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.628 - 2.000 |
R-factor | 0.1965 |
Rwork | 0.195 |
R-free | 0.22320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4pkc |
RMSD bond length | 0.003 |
RMSD bond angle | 0.705 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (dev_1951) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.900 | |
Number of reflections | 65770 | |
<I/σ(I)> | 11.8 | 1.4 |
Completeness [%] | 97.0 | 80.4 |
Redundancy | 5.6 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 291 | 1:1 15 mg/mL BSS-alpha-gamma (in 20 mM HEPES, pH 7.6, 100 mM sodium chloride, 5 mM fumarate) to well solution (20% w/v PEG400, 50 mM Bis-Tris, pH 6.5, 25 mM Tris, pH 8.0) in temperature-controlled anaerobic chamber, crystals formed in several days |