2QIV
Structural basis for the acyl chain selectivity and mechanism of UDP-N-acetylglucosamine acyltransferase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-01-18 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 3 |
Unit cell lengths | 96.720, 96.720, 96.720 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.100 - 1.850 |
R-factor | 0.193 |
Rwork | 0.191 |
R-free | 0.22100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.035 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.890 |
High resolution limit [Å] | 1.820 | 1.820 |
Rmerge | 0.038 | 0.287 |
Number of reflections | 25222 | |
<I/σ(I)> | 17.6 | |
Completeness [%] | 92.3 | 91.7 |
Redundancy | 2.6 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 291 | 0.8-1.4 Na/K phosphate, pH 5.6-6.3, 30%-35% Dimethyl Sulfoxide (DMSO), VAPOR DIFFUSION, HANGING DROP, temperature 291K |