7PQR

LsAA9A expressed in E. coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-06-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.127130
Spacegroup name	P 41
Unit cell lengths	48.920, 48.920, 109.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.920 - 1.300
R-factor	0.1343
Rwork	0.133
R-free	0.15330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ach
RMSD bond length	0.014
RMSD bond angle	1.824
Data reduction software	XDS (Feb 5, 2021 BUILT=20210323)
Data scaling software	XSCALE (Jan 31, 2020)
Phasing software	MOLREP (11.7.03)
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.920	1.330
High resolution limit [Å]	1.300	1.300
Rmeas	0.077	1.250
Number of reflections	63029	8661
<I/σ(I)>	12.2	1.09
Completeness [%]	99.4	93.3
Redundancy	6.14	3.06
CC(1/2)	0.999	0.482

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	298	0.1 M sodium acetate pH 4.5, 1.8 M ammonium sulphate.