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 |
