4N0Q

Crystal Structure of an ABC transporter, substrate-binding protein from Brucella melitensis 16M in complex with L-Leucine using a crystal grown in a Crystal Former (Microlytic)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2013-09-06
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	69.500, 59.850, 147.900
Unit cell angles	90.00, 91.22, 90.00

Refinement procedure

Resolution	19.930 - 2.300
R-factor	0.21518
Rwork	0.212
R-free	0.26875
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ipc
RMSD bond length	0.012
RMSD bond angle	1.373
Data scaling software	XSCALE
Phasing software	PHASER (2.5.2)
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.088	0.036	0.220
Number of reflections	53389
<I/σ(I)>	11.67	24.33	4.7
Completeness [%]	98.0	96	83.3
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROFLUIDIC	5.5	294	SuperCOMBI(b4): 0.2 M magnesium chloride, 0.1 M Bis-Tris-HCl, pH 5.5, 25% PEG3350, MICROFLUIDIC, temperature 294K