7LLE

Crystal structure of GenB4 in complex with PLP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-09-14
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.45
Spacegroup name	P 21 21 21
Unit cell lengths	71.000, 74.210, 181.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.976 - 1.704
R-factor	0.1543
Rwork	0.154
R-free	0.18420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	0
RMSD bond length	0.006
RMSD bond angle	0.840
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MrBUMP
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.976	1.750
High resolution limit [Å]	1.700	1.700
Number of reflections	105014	10268
<I/σ(I)>	15.9
Completeness [%]	99.8
Redundancy	2
CC(1/2)	0.999	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.15 M DL-malic acid, 20% PEG 3350