5GHG

Transaminase W58L with SMBA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	79.020, 102.040, 116.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.850 - 2.000
R-factor	0.14505
Rwork	0.143
R-free	0.17861
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.252
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall
Low resolution limit [Å]	76.850
High resolution limit [Å]	2.000
Rmerge	0.129
Number of reflections	60668
<I/σ(I)>	17
Completeness [%]	99.1
Redundancy	13.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION, RECRYSTALLIZATION	8	290	0.1M Tris-HCl pH8.0, 25% PEG3350