2IJA
Human N-acetyltransferase 1 F125S mutant
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-09-16 |
| Detector | ADSC |
| Wavelength(s) | 0.96860, 0.97910, 0.97950 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 90.549, 37.558, 88.478 |
| Unit cell angles | 90.00, 102.70, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.701 |
| Rwork | 0.164 |
| R-free | 0.20320 |
| Structure solution method | MAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.496 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | REFMAC (refmac_5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
| Rmerge | 0.100 | 0.057 | 0.375 |
| Number of reflections | 32012 | 3347 | 2994 |
| <I/σ(I)> | 7.5 | ||
| Completeness [%] | 99.3 | ||
| Redundancy | 3.6 | 3.6 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 291 | 26% peg-4000, 0.2M sodium acetate, 0.1M Tris, pH 7.8, vapor diffusion, hanging drop, temperature 291K |
