5GUA

Structure of biotin carboxyl carrier protein from pyrococcus horikoshi OT3 (delta N79) A138Y mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-08-03
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	39.063, 39.063, 76.642
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.800 - 1.500
R-factor	0.1861
Rwork	0.185
R-free	0.20420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2evb
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.800	1.530
High resolution limit [Å]	1.500	1.500
Rmerge	0.044	0.102
Number of reflections	11290
<I/σ(I)>	41.2	16
Completeness [%]	99.4	98.2
Redundancy	9.9	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	2.5M sodium chloride, 0.2M lithium sulfate, 0.1M acetate-NaOH