4Z5S

Crystal structure of apo-form of aldehyde deformylating oxygenase from Synechocystis sp.PCC 6803

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-01-08
Detector	ADSC QUANTUM 315
Wavelength(s)	0.98
Spacegroup name	P 21 21 2
Unit cell lengths	68.519, 88.027, 36.251
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.014 - 1.582
R-factor	0.175
Rwork	0.173
R-free	0.21280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2oc5
RMSD bond length	0.007
RMSD bond angle	1.002
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.014	1.610
High resolution limit [Å]	1.582	1.580
Rmerge		0.497
Number of reflections	29825
<I/σ(I)>	22.2	4.75
Completeness [%]	99.6	99.7
Redundancy	8.5	9.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.2	291	19%(v/v) 2-Propanol, 0.2M Ammonium sulfate, 0.1M Sodium citrate tribasic dehydrate pH5.2, 18% PEG3350