2YYK

Crystal structure of the mutant of HpaB (T198I, A276G, and R466H)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-03-08
Detector	RIGAKU RAXIS V
Wavelength(s)	0.9000
Spacegroup name	I 2 2 2
Unit cell lengths	91.819, 99.612, 131.091
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.530 - 1.600
Rwork	0.195
R-free	0.20350
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.530	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.054	0.245
Number of reflections	78027
<I/σ(I)>	27.5
Redundancy	3.91

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	0.4M 1,6-hexanediol, 0.1M sodium acetate, 25%(v/v) glycerol, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	5	293	0.4M 1,6-hexanediol, 0.1M sodium acetate, 25%(v/v) glycerol, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	5	293	0.4M 1,6-hexanediol, 0.1M sodium acetate, 25%(v/v) glycerol, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K