8AWY
Millisecond cryo-trapping by the spitrobot crystal plunger, Serial measurement Xylose Isomerase with 2,3-butanediol at 50ms
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 | 2022-02-22 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 92.700, 102.350, 99.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 71.270 - 1.600 |
R-factor | 0.1753 |
Rwork | 0.174 |
R-free | 0.19400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6rnf |
RMSD bond length | 0.005 |
RMSD bond angle | 0.847 |
Data reduction software | CrystFEL |
Data scaling software | CrystFEL |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 71.270 | 1.657 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 62424 | 6154 |
<I/σ(I)> | 9.7 | |
Completeness [%] | 100.0 | |
Redundancy | 662 | |
CC(1/2) | 0.979 | 0.952 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 293 | 35% (w/v) PEG3350, 200 mM lithium sulfate and 10 mM Hepes/NaOH pH 7.5 |