4P53

ValA (2-epi-5-epi-valiolone synthase) from Streptomyces hygroscopicus subsp. jinggangensis 5008 with NAD+ and Zn2+ bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 32 2 1
Unit cell lengths	77.186, 77.186, 99.074
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	66.845 - 2.100
R-factor	0.1829
Rwork	0.179
R-free	0.26150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3clh
RMSD bond length	0.010
RMSD bond angle	1.259
Data reduction software	iMOSFLM (1.0.7)
Data scaling software	SCALA (2.0.6)
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.900	2.210
High resolution limit [Å]	2.100	2.100
Number of reflections	20232
<I/σ(I)>	11.2
Completeness [%]	99.4	98.9
Redundancy	26.8	19.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277.15	0.6 M succinic acid, pH 6.5