3TA0
A. fulgidus GlnK3, MgATP complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 123.751, 93.626, 88.644 |
| Unit cell angles | 90.00, 133.55, 90.00 |
Refinement procedure
| Resolution | 29.440 - 2.300 |
| R-factor | 0.237 |
| Rwork | 0.235 |
| R-free | 0.26730 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3o8w |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.190 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.9.6) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.440 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.229 | |
| Number of reflections | 32450 | |
| <I/σ(I)> | 10.2 | 2.3 |
| Completeness [%] | 98.3 | 93.4 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 3.5 | 293 | 17% PEG3350, 0.1 M sodium citrate buffer, pH 3.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
