4FQW
Crystal Structure of AAAA+UDP+Gal at pH 5.0 with MPD as the cryoprotectant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-002 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-12-10 |
Detector | RIGAKU RAXIS |
Wavelength(s) | 1.54 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 52.300, 149.220, 79.360 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.020 |
R-factor | 0.1947 |
Rwork | 0.191 |
R-free | 0.25846 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1lz0 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.880 |
Data reduction software | d*TREK (9.7 W8RSSI) |
Data scaling software | d*TREK |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 19.740 | 2.090 |
High resolution limit [Å] | 2.020 | 4.340 | 2.020 |
Rmerge | 0.047 | 0.025 | 0.302 |
Number of reflections | 17878 | ||
<I/σ(I)> | 15.1 | 41.3 | 3.6 |
Completeness [%] | 86.0 | 89.7 | 82.4 |
Redundancy | 3.96 | 4.78 | 3.56 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 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 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |