2PQT
Human N-acetyltransferase 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ DW |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-10-02 |
| Detector | RIGAKU RAXIS |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.274, 44.975, 83.959 |
| Unit cell angles | 90.00, 99.17, 90.00 |
Refinement procedure
| Resolution | 22.000 - 1.780 |
| Rwork | 0.170 |
| R-free | 0.21590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ija |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.372 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (refmac_5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.840 |
| High resolution limit [Å] | 1.780 | 3.830 | 1.780 |
| Rmerge | 0.082 | 0.039 | 0.551 |
| Number of reflections | 26582 | 2751 | 2595 |
| <I/σ(I)> | 9.5 | ||
| Completeness [%] | 99.8 | ||
| Redundancy | 3.5 | 3.7 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 30% PEG4000, 0.2 M NaOAc, 0.1 M Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
