9R47

Spitrobot-2 advances time-resolvedcryo-trapping crystallography to under 25 ms: Xylose isomerase bound with glucose (50 ms soaking)

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]	100
Detector technology	PIXEL
Collection date	2025-03-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976
Spacegroup name	I 2 2 2
Unit cell lengths	85.643, 93.922, 98.322
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.160 - 1.800
R-factor	0.1711
Rwork	0.169
R-free	0.20650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.834
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.21.1_5286)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.915	1.948
High resolution limit [Å]	1.800	1.802
Number of reflections	30012	1501
<I/σ(I)>	8.4
Completeness [%]	93.8
Redundancy	13.4
CC(1/2)	0.996	0.464

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.4	295	10 mM HEPES pH 7.4 0.2 M Lithium Sulphate 25% Peg3350