4L9Y
Crystal Structure of Rhodobacter sphaeroides malyl-CoA lyase in complex with magnesium, glyoxylate, and propionyl-CoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-11-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.00 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 80.210, 143.995, 94.221 |
Unit cell angles | 90.00, 112.83, 90.00 |
Refinement procedure
Resolution | 38.791 - 2.102 |
R-factor | 0.1774 |
Rwork | 0.177 |
R-free | 0.20720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1u5h |
RMSD bond length | 0.003 |
RMSD bond angle | 0.746 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.2_1303) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 38.791 | 38.791 | 2.220 |
High resolution limit [Å] | 2.102 | 6.650 | 2.102 |
Rmerge | 0.019 | 0.448 | |
Total number of observations | 13669 | 61474 | |
Number of reflections | 113853 | ||
<I/σ(I)> | 15.8 | 32.4 | 1.7 |
Completeness [%] | 99.6 | 99.4 | 98.2 |
Redundancy | 3.8 | 3.7 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | 2 parts protein solution (3.0 mg/mL in 20 mM Tris-HCl, pH 7.5, 2 mM magnesium chloride, 100 mM sodium chloride) + 3 parts buffer (0.1 M Tris-HCl, pH 8.5, 20% w/v PEG3350, 20 mM magnesium chloride), crystals soaked in crystallization mixture + 8 mM propionyl-CoA + 25% v/v glycerol for 3 minutes before plunging into liquid nitrogen, VAPOR DIFFUSION, SITTING DROP, temperature 295K |