4FRM
Crystal Structure of BBBB+UDP+Gal at pH 7.0 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 | 52.203, 150.598, 79.353 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.900 |
R-factor | 0.17518 |
Rwork | 0.173 |
R-free | 0.21834 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3sxg |
RMSD bond length | 0.020 |
RMSD bond angle | 1.969 |
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 | 1.930 |
High resolution limit [Å] | 1.900 | 5.150 | 1.900 |
Rmerge | 0.158 | 0.174 | 0.218 |
Number of reflections | 24932 | ||
<I/σ(I)> | 19.8 | ||
Completeness [%] | 99.4 | 94.9 | 100 |
Redundancy | 5.7 | 5.4 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 1% PEG 4000, 5% MPD, 5 mM manganese chloride, 100 mM ammonium sulfate, 70 mM sodium chloride, 50 mM Tris-HCl, 30 mM sodium acetate with 20% MPD as cryoprotectant, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |