2JKC

Crystal Structure of E346D of Tryptophan 7-Halogenase (PrnA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2008-08-22
Detector	RIGAKU CCD
Spacegroup name	P 43 21 2
Unit cell lengths	68.360, 68.360, 276.630
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.130 - 2.300
R-factor	0.164
Rwork	0.161
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2aqj
RMSD bond length	0.013
RMSD bond angle	1.364
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	REFMAC (RIGID BODY REFINEMENT)
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.100	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.090	0.290
Number of reflections	29779
<I/σ(I)>	14.3	5
Completeness [%]	96.6	85
Redundancy	5	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		10		0.1M CHES PH10 0.2M NACL 1.6 M (NH4)2SO4