7AZA
Perdeuterated E65Q-TIM complexed with PHOSPHOGLYCOLOHYDROXAMATE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2016-11-01 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.89 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 98.323, 52.678, 58.665 |
Unit cell angles | 90.00, 117.86, 90.00 |
Refinement procedure
Resolution | 30.550 - 1.800 |
R-factor | 0.2221 |
Rwork | 0.220 |
R-free | 0.25960 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vxn |
Data reduction software | XDS (3.25) |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.010 | 1.900 | 1.160 |
High resolution limit [Å] | 1.100 | 1.800 | 1.100 |
Rmeas | 0.043 | 0.514 | 0.962 |
Number of reflections | 104600 | 776 | 15549 |
<I/σ(I)> | 14.77 | 2.5 | 2.1 |
Completeness [%] | 96.0 | 88.88 | |
Redundancy | 3.2 | ||
CC(1/2) | 0.999 | 0.666 | 0.663 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293.15 | 0.1 M sodium acetate, 1 mM Na EDTA, 1 mM DTT,18% PEG6000 | |
1 | VAPOR DIFFUSION | 293.15 | 0.1 M sodium acetate, 1 mM Na EDTA, 1 mM DTT,18% PEG6000 |