5KJA

Synechocystis apocarotenoid oxygenase (ACO) mutant - Trp149Ala

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2015-11-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97921
Spacegroup name	P 21 21 21
Unit cell lengths	118.140, 125.260, 203.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.620 - 2.800
R-factor	0.19998
Rwork	0.198
R-free	0.23905
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ou9
RMSD bond length	0.011
RMSD bond angle	1.375
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.620	2.870
High resolution limit [Å]	2.800	2.800
Rmerge	0.190	0.204
Number of reflections	75013
<I/σ(I)>	11	1.1
Completeness [%]	100.0	100
Redundancy	8.2	3.77
CC(1/2)	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	281	BisTris Propane, sodium polyacrylate 2100, sodium chloride