9R45

Spitrobot-2 advances time-resolvedcryo-trapping crystallography to under 25 ms: Xylose isomerase (apo state)

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	2024-06-13
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.976
Spacegroup name	I 2 2 2
Unit cell lengths	85.498, 93.723, 98.033
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.740 - 1.790
R-factor	0.1983
Rwork	0.196
R-free	0.24440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.874
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]	67.745	2.018
High resolution limit [Å]	1.788	1.788
Number of reflections	20717	977
<I/σ(I)>	5.9
Completeness [%]	88.3	50.9
Redundancy	6.8
CC(1/2)	0.983	0.547

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