9R46

Spitrobot-2 advances time-resolvedcryo-trapping crystallography to under 25 ms: Xylose isomerase bound with glucose (25 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)	0.987
Spacegroup name	I 2 2 2
Unit cell lengths	85.680, 93.760, 98.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.520 - 2.100
R-factor	0.1895
Rwork	0.187
R-free	0.24260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.850
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]	64.520	2.175
High resolution limit [Å]	2.100	2.100
Number of reflections	23420	1692
<I/σ(I)>	24.6
Completeness [%]	100.0
Redundancy	37.8
CC(1/2)	0.999	0.958

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	7.4	295	10 mM HEPES pH 7.5 0.2 M Lithium Sulphate 25% Peg3350