5ZZJ

Crystal structure of a enzyme from Santalum album

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-29
Detector	RAYONIX MX-300
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	122.512, 155.112, 164.245
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.600
R-factor	0.1915
Rwork	0.189
R-free	0.23440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ong
RMSD bond length	0.010
RMSD bond angle	1.438
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	2.690
High resolution limit [Å]	2.600	5.580	2.600
Rmerge	0.065	0.034	0.581
Rmeas	0.072	0.038	0.644
Rpim	0.031	0.017	0.272
Total number of observations	517044
Number of reflections	96051	9894	9435
<I/σ(I)>	14.5
Completeness [%]	99.4	98.2	98.9
Redundancy	5.4	5.3	5.3
CC(1/2)		0.998	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	Ammonium tartrate, glycerol