5Z27

Crystal structure of highly active BTUO mutant P287G without dehydration

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AichiSR BEAMLINE BL2S1
Synchrotron site	AichiSR
Beamline	BL2S1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-01-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.12
Spacegroup name	I 2 2 2
Unit cell lengths	70.496, 133.047, 144.717
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.350 - 1.600
R-factor	0.1634
Rwork	0.163
R-free	0.17870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xfp
RMSD bond length	0.006
RMSD bond angle	0.842
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	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.078	0.576
Rmeas	0.088	0.664
Rpim	0.040	0.322
Number of reflections	85987	4405
<I/σ(I)>	15.7	2.1
Completeness [%]	95.9
Redundancy	4.2
CC(1/2)		0.676

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	288	16% PEG 8000, 0.1 M Tris-HCl, 0.08 M K2SO4, 2 mM 8-azaxthantine