4GGV

Crystal Structure of HmtT Involved in Himastatin Biosynthesis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	77.15
Detector technology	CCD
Collection date	2012-05-02
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979228
Spacegroup name	P 21 21 2
Unit cell lengths	64.410, 121.139, 54.731
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.124 - 2.331
R-factor	0.2102
Rwork	0.208
R-free	0.25730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2jjo
RMSD bond length	0.005
RMSD bond angle	0.931
Data reduction software	HKL-2000
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.124	2.370
High resolution limit [Å]	2.331	2.331
Rmerge	0.071
Number of reflections	17864
Completeness [%]	100.0	99.9
Redundancy	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	277.15	8%(w/v) PEG4000, 3%(v/v) Dimethyl Sulfoxide, 0.1M Sodium acetate trihydrate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K