3UWB

Crystal structure of a probable peptide deformylase from strucynechococcus phage S-SSM7 in complex with actinonin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2011-08-16
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	47.810, 59.150, 61.460
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.620 - 1.700
R-factor	0.156
Rwork	0.155
R-free	0.17100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3uwa
RMSD bond length	0.016
RMSD bond angle	1.703
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.740
High resolution limit [Å]	1.700	1.700
Rmerge	0.035	0.279
Number of reflections	19602
<I/σ(I)>		5.24
Completeness [%]	99.2	89.2
Redundancy	8.5	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	290	60.8% MPD, 100MM NAHEPES PH 7.3- 7.4, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K