7D95
Crystal structure of acivicin-bound GATase subunit of Methanocaldococcus jannaschii GMP synthetase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 277 |
| Detector technology | IMAGE PLATE |
| Collection date | 2016-08-25 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54179 |
| Spacegroup name | P 32 |
| Unit cell lengths | 65.350, 65.350, 97.371 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 56.590 - 1.670 |
| R-factor | 0.1982 |
| Rwork | 0.197 |
| R-free | 0.23360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1wl8 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.384 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.590 | 1.760 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Number of reflections | 53661 | 7137 |
| <I/σ(I)> | 1.84 | |
| Completeness [%] | 99.5 | |
| Redundancy | 6.4 | |
| CC(1/2) | 0.994 | 0.858 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 4.6 | 277 | 100 mM Sodium acetate, pH 4.6, 35 % PEG 6000 |
