1GX3
M. smegmatis arylamine N-acetyl transferase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-02-19 |
| Detector | QUANTUM ADSC |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 101.250, 105.828, 141.320 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.700 |
| R-factor | 0.209 * |
| Rwork | 0.209 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e2t |
| RMSD bond length | 0.022 * |
| RMSD bond angle | 1.967 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.074 * | 0.568 * |
| Total number of observations | 624263 * | |
| Number of reflections | 163227 | 14137 * |
| <I/σ(I)> | 3.2 | 1.3 |
| Completeness [%] | 98.1 * | 87.4 |
| Redundancy | 3.8 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8 * | 19 * | 0.2 M NH4 ACETATE, 0.1M TRIS-HCL PH 8.5, 30%V/V ISOPROPANOL |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 15 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 20 (mM) | |
| 3 | 1 | drop | EDTA | 1 (mM) | |
| 4 | 1 | drop | dithiothreitol | 2 (mM) | pH8.0 |
