7Z8U
Catalytic subunit HisG R56A mutant from Psychrobacter arcticus ATPPRT (HisGZ) in complex with ATP and PRPP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-11-20 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54178 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 70.090, 33.900, 89.265 |
Unit cell angles | 90.00, 103.52, 90.00 |
Refinement procedure
Resolution | 22.020 - 2.000 |
R-factor | 0.2239 |
Rwork | 0.222 |
R-free | 0.26820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6fct |
RMSD bond length | 0.008 |
RMSD bond angle | 1.623 |
Data reduction software | MOSFLM |
Data scaling software | Aimless (0.7.4) |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 22.020 | 22.010 | 2.050 |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.108 | 0.055 | 0.364 |
Rmeas | 0.130 | 0.065 | 0.453 |
Rpim | 0.072 | 0.034 | 0.267 |
Total number of observations | 411 | 2336 | |
Number of reflections | 13035 | 128 | 894 |
<I/σ(I)> | 7.2 | 16 | 2.5 |
Completeness [%] | 93.8 | 81.3 | 88.2 |
Redundancy | 3 | 3.2 | 2.6 |
CC(1/2) | 0.989 | 0.995 | 0.843 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 10mg/ml protein in 20mM Tris HCl pH8.0, 50mM KCl, 10mM MgCl2, 2mM DTT mixed 1:1 with 32% PEG 3350, 0.1M MOPS pH6.0, 0.1M K/Na tartrate |