5K3W

Structural characterisation of fold IV-transaminase, CpuTA1, from Curtobacterium pusillum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-09-06
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9717
Spacegroup name	P 62
Unit cell lengths	154.428, 154.428, 71.005
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.680 - 2.503
R-factor	0.1655
Rwork	0.163
R-free	0.21810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sno
RMSD bond length	0.007
RMSD bond angle	0.819
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.700	2.650
High resolution limit [Å]	2.500	2.500
Rmerge	0.211	0.604
Number of reflections	31759
<I/σ(I)>	5.5	2.1
Completeness [%]	94.8	96.3
Redundancy	3.9	3.8
CC(1/2)	0.971

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	2.4 M sodium malonate pH 7.0 microseeding