4FRQ
Crystal Structure of BBBB+UDP+Gal at pH 9.5 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 | 52.307, 151.386, 79.397 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.350 |
R-factor | 0.1852 |
Rwork | 0.182 |
R-free | 0.25157 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3sxg |
RMSD bond length | 0.016 |
RMSD bond angle | 1.752 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.390 |
High resolution limit [Å] | 2.350 | 6.370 | 2.350 |
Rmerge | 0.044 | 0.037 | 0.081 |
Number of reflections | 12961 | ||
<I/σ(I)> | 24.7 | ||
Completeness [%] | 95.6 | 91.9 | 99.1 |
Redundancy | 4.5 | 4.2 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 298 | 1% PEG 4000, 5% MPD, 5 mM manganese chloride, 100 mM ammonium sulfate, 70 mM sodium chloride, 50 mM glycine, 30 mM sodium acetate with 20% MPD as cryoprotectant, pH 9.5, temperature 298K, VAPOR DIFFUSION, HANGING DROP |