7AZ4
Perdeuterated E65Q-TIM complexed with 2-PHOSPHOGLYCOLIC ACID
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM30A |
Synchrotron site | ESRF |
Beamline | BM30A |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2018-04-23 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.98 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 98.341, 52.365, 58.463 |
Unit cell angles | 90.00, 118.03, 90.00 |
Refinement procedure
Resolution | 30.396 - 1.700 |
R-factor | 0.1829 |
Rwork | 0.182 |
R-free | 0.22300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2vxn |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.674 | 1.790 | 1.180 |
High resolution limit [Å] | 1.150 | 1.700 | 1.150 |
Rmeas | 0.049 | 0.367 | |
Number of reflections | 95584 | 3300 | 7008 |
<I/σ(I)> | 23.49 | 5.4 | 2.47 |
Completeness [%] | 99.4 | ||
Redundancy | 4.9 | ||
CC(1/2) | 0.999 | 0.924 | 0.767 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.4 | 293.15 | 0.1 M sodium acetate, 1 mM Na EDTA, 1 mM DTT,18% PEG6000 |
1 | VAPOR DIFFUSION | 5.4 | 293.15 | 0.1 M sodium acetate, 1 mM Na EDTA, 1 mM DTT,18% PEG6000 |