3MC4

Crystal structure of WW/RSP5/WWP domain: bacterial transferase hexapeptide repeat: serine O-Acetyltransferase from Brucella Melitensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-09
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	H 3
Unit cell lengths	104.030, 104.030, 105.540
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.530 - 1.950
R-factor	0.132
Rwork	0.131
R-free	0.15600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	: 1SSQ
RMSD bond length	0.016
RMSD bond angle	1.515
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.530	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.075	0.450
Number of reflections	31049
<I/σ(I)>	16.78	2.5
Completeness [%]	99.9	99.8
Redundancy	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	290	MD PACT SCREEN, E4: 20% PEG 3350, 200MM KSCN; protein at 9.5MG/ML, PH 7.4, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K