5HMB

Crystal structure of S. sahachiroi AziG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-25
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9183
Spacegroup name	I 41 2 2
Unit cell lengths	68.466, 68.466, 139.616
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.908 - 2.151
R-factor	0.2084
Rwork	0.207
R-free	0.22890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3s4k
RMSD bond length	0.006
RMSD bond angle	0.766
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.190
High resolution limit [Å]	2.150	5.830	2.150
Rmerge	0.091	0.080	0.386
Total number of observations	62888
Number of reflections	9373
<I/σ(I)>	13.9
Completeness [%]	99.5	96	100
Redundancy	6.7	6.1	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	1.25 M ammonium sulfate and 0.1 M cacodylate pH 6.0