7NJG
Xylose isomerase grown inside HARE serial crystallography chip
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 | 2020-07-05 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.9762 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 94.450, 99.750, 103.150 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.570 - 1.900 |
R-factor | 0.2036 |
Rwork | 0.202 |
R-free | 0.24400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6qni |
RMSD bond length | 0.003 |
RMSD bond angle | 0.598 |
Data reduction software | CrystFEL |
Data scaling software | CrystFEL |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 71.040 | 49.880 |
High resolution limit [Å] | 1.700 | 1.900 |
Number of reflections | 38718 | 3834 |
<I/σ(I)> | 2.3 | |
Completeness [%] | 100.0 | |
Redundancy | 111 | |
CC(1/2) | 0.789 | 0.415 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 35% (w/v) PEG3350, 200 mM lithium sulfate and 10 mM Hepes/NaOH, pH 7.5 |