3W91
crystal structure of SeMet-labeled yeast N-acetyltransferase Mpr1 L87M mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-21 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 31 1 2 |
| Unit cell lengths | 83.558, 83.558, 192.424 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| R-factor | 0.2047 |
| Rwork | 0.203 |
| R-free | 0.24568 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.184 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.059 | 0.214 |
| Number of reflections | 45346 | |
| <I/σ(I)> | 42.5 | 9.9 |
| Completeness [%] | 99.1 | 96.3 |
| Redundancy | 11.1 | 10 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 20.5% PEG3350, 0.1M Bistris-HCl (pH 5.5), 0.24M magnesium chloride, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
