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 |