6FZB
AadA in complex with ATP, magnesium and streptomycin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 173 |
Detector technology | PIXEL |
Collection date | 2017-08-31 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.07438 |
Spacegroup name | P 32 |
Unit cell lengths | 82.670, 82.670, 79.860 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.335 - 2.050 |
R-factor | 0.1759 |
Rwork | 0.174 |
R-free | 0.20760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5g4a |
RMSD bond length | 0.013 |
RMSD bond angle | 0.660 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 71.600 | 2.100 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmeas | 0.112 | 1.784 |
Number of reflections | 38252 | 2660 |
<I/σ(I)> | 13.43 | 1.33 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 10.3 | 10.6 |
CC(1/2) | 0.992 | 0.552 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 281 | 20% v/v PEG 500* MME; 10 % w/v PEG 20000, 0.02M DL-Glutamic acid monohydrate; 0.02M DLAlanine; 0.02M Glycine; 0.02M DL-Lysine monohydrochloride; 0.02M DL-Serine, 0.1M Sodium HEPES-MOPS pH 7.5 |