7XJR

MLXase AlXyn26A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	P 42 21 2
Unit cell lengths	114.428, 114.428, 48.355
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.180 - 1.850
R-factor	0.1795
Rwork	0.178
R-free	0.21170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vpl
RMSD bond length	0.006
RMSD bond angle	0.765
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.180	1.916
High resolution limit [Å]	1.850	1.850
Rmerge	0.071	0.379
Rmeas	0.072	0.387
Rpim	0.014	0.075
Number of reflections	27987	2725
<I/σ(I)>	45.2
Completeness [%]	99.8
Redundancy	25.7	26.4
CC(1/2)	0.998	0.986

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	ammonium acetate, sodium acetate trihydrate, PEG 4000