3HCI

Structure of MsrB from Xanthomonas campestris (complex-like form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-03-14
Detector	MAR CCD 165 mm
Wavelength(s)	1.24
Spacegroup name	P 21 21 21
Unit cell lengths	39.436, 74.203, 122.941
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.250 - 2.590
R-factor	0.19837
Rwork	0.196
R-free	0.24737
Starting model (for MR)	3hcg
RMSD bond length	0.008
RMSD bond angle	1.137
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.590	2.600
Number of reflections	11522
<I/σ(I)>	10.9	2.4
Completeness [%]	97.7	92
Redundancy	7.03

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	microbatch under oil	7.5	293	18 % PEG 8000, 0.1M Na HEPES pH 7.5, 0.2M, 0.05M TRIS HCl pH 8 , microbatch under oil, temperature 293K