5Z8A

Crystal structure of GenB1 from Micromonospora echinospora in complex with JI-20A and PLP (external aldimine)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2017-04-05
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 21 21 21
Unit cell lengths	77.765, 88.687, 116.849
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.389 - 1.398
R-factor	0.1719
Rwork	0.172
R-free	0.19390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.754
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (dev_2474)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.420
High resolution limit [Å]	1.398	1.400
Rmerge	0.052	0.325
Rpim	0.016	0.158
Number of reflections	144352	8225
<I/σ(I)>	37.1
Completeness [%]	92.0
Redundancy	9.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		295	magnesium formate, PEG3350