6Z1M

Structure of an Ancestral glycosidase (family 1) bound to heme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-01-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	58.934, 89.496, 141.120
Unit cell angles	90.00, 94.21, 90.00

Refinement procedure

Resolution	55.320 - 2.450
R-factor	0.1776
Rwork	0.175
R-free	0.22060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j78
RMSD bond length	0.005
RMSD bond angle	0.719
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.320	2.540
High resolution limit [Å]	2.450	2.450
Number of reflections	53447	5335
<I/σ(I)>	10.15	1.44
Completeness [%]	99.0
Redundancy	3.2
CC(1/2)	0.997	0.718

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	HRI (#9): 0.2 M Ammonium acetate, 0.1 M Sodium citrate tribasic dihydrate pH 5.6, 30% w/v PEG 4.000