5W8Q

Crystal structure of biphenyl synthase from Malus domestica

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.99980
Spacegroup name	P 1 21 1
Unit cell lengths	55.270, 113.020, 62.770
Unit cell angles	90.00, 93.15, 90.00

Refinement procedure

Resolution	27.917 - 1.173
R-factor	0.0992
Rwork	0.098
R-free	0.12160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bi5
RMSD bond length	0.012
RMSD bond angle	1.421
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	62.675	27.917	1.240
High resolution limit [Å]	1.173	3.710	1.173
Rmerge	0.084	0.057	0.297
Rmeas	0.094	0.062	0.378
Rpim	0.041	0.026	0.231
Number of reflections	251517
<I/σ(I)>	11.3	10.6	1.4
Completeness [%]	98.3	98	94.2
Redundancy	4.5	5.5	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	278	14% PEG 8000, 0.3M Ammonium acetate, 0.1M sodium-HEPES pH7.5