5YJA

Crystal structure of highly active BTUO mutant P287G without dehydration

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-11-18
Detector	RAYONIX MX-225
Wavelength(s)	1
Spacegroup name	P 21 21 2
Unit cell lengths	133.017, 144.252, 70.272
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.683 - 1.650
R-factor	0.1659
Rwork	0.164
R-free	0.18670
RMSD bond length	0.009
RMSD bond angle	0.944
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.089	0.888
Rmeas	0.093	0.934
Rpim	0.027	0.285
Number of reflections	162624	8061
<I/σ(I)>	22.4
Completeness [%]	99.0	99.8
Redundancy	11.4	10
CC(1/2)		0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	288	16% PEG 8000, 0.1 M Tris-HCl, 0.07 M K2SO4, 2 mM 8-azaxanthine