6SKX

Structure of Reductive Aminase from Neosartorya fumigata

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	120
Detector technology	PIXEL
Collection date	2015-11-28
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.92819
Spacegroup name	P 32 2 1
Unit cell lengths	114.000, 114.000, 60.000
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	98.730 - 2.250
R-factor	0.2022
Rwork	0.200
R-free	0.23520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6eod
RMSD bond length	0.009
RMSD bond angle	1.632
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	98.730	2.320
High resolution limit [Å]	2.250	2.250
Rmerge	0.050	0.760
Rpim	0.025	0.370
Number of reflections	21645	1994
<I/σ(I)>	17.4	3
Completeness [%]	100.0
Redundancy	9.7
CC(1/2)	1.000	0.960

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	50 mM Tris-HCl pH 7.5; 3 M NaCl;