3S99

Crystal structure of a basic membrane lipoprotein from brucella melitensis, iodide soak

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-23
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	83.640, 85.850, 95.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.050
R-factor	0.179
Rwork	0.177
R-free	0.21000
Structure solution method	SAD
Starting model (for MR)	solved via SAD phasing based on iodide ions
RMSD bond length	0.014
RMSD bond angle	1.343
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]	50.000	2.100
High resolution limit [Å]	2.050	2.050
Rmerge	0.078	0.297
Number of reflections	21344
<I/σ(I)>	24.32	8.1
Completeness [%]	97.6	88.4
Redundancy	14	10.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	290	25% PEG 3350, 100MM BISTRIS, 200MM NACL; BRABA.17960.A.A2, PS01053 AT 37.0MG/ML, CRYSTALS SOAKED FOR 30MIN IN 25% PEG 3350, 100M BISTRIS, 200MM NACL, 10% EG, 300MM NAI, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K, pH 5.50