4DR9

Crystal structure of a peptide deformylase from synechococcus elongatus in complex with actinonin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-07
Detector	RIGAKU SATURN 944+
Spacegroup name	P 1
Unit cell lengths	43.250, 65.780, 68.290
Unit cell angles	80.87, 76.82, 82.75

Refinement procedure

Resolution	50.000 - 1.900
R-factor	0.185
Rwork	0.182
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	pdb deposition 1lry modified with CCP4 program CHAINSAW
RMSD bond length	0.013
RMSD bond angle	1.603
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.077	0.490
Number of reflections	56579
<I/σ(I)>	17	2.02
Completeness [%]	99.6	98
Redundancy	5.8	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	HAMPTON RESEARCH INDEX H12: 30% PEG 2000 MME, 150MM KBR, PH 7.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K; 18 hour soak in reservoir solution containing 1mM actinonin
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	HAMPTON RESEARCH INDEX H12: 30% PEG 2000 MME, 150MM KBR, PH 7.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K; 18 hour soak in reservoir solution containing 1mM actinonin