4FRE
Crystal Structure of BBBB+UDP+Gal at pH 6.5 with MPD as the cryoprotectant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-03-26 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.9795 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 52.296, 150.809, 79.532 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.850 |
R-factor | 0.18921 |
Rwork | 0.187 |
R-free | 0.22201 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3sxg |
RMSD bond length | 0.021 |
RMSD bond angle | 2.018 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.3.0) |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 1.880 |
High resolution limit [Å] | 1.850 | 5.020 | 1.850 |
Rmerge | 0.072 | 0.056 | 0.313 |
Number of reflections | 26912 | ||
<I/σ(I)> | 10.5 | ||
Completeness [%] | 98.7 | 96.2 | 97.7 |
Redundancy | 5.4 | 4.6 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 1% PEG 4000, 5% MPD, 5 mM manganese chloride, 100 mM ammonium sulfate, 70 mM sodium chloride, 50 mM ADA, 30 mM sodium acetate with 20% MPD as cryoprotectant, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |