1Z17

Crystal structure analysis of periplasmic Leu/Ile/Val-binding protein with bound ligand isoleucine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-01-14
Detector	MACSCIENCE
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	99.130, 99.130, 93.180
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	21.880 - 1.960
Rwork	0.183
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	LIVBP-leu complex (closed form) without leucine and solvent pdb entry 1Z16
RMSD bond length	0.012
RMSD bond angle	1.600
Data reduction software	MACSCIENCE
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.100
High resolution limit [Å]	1.960	1.960
Rmerge	0.051	0.184
Number of reflections	38888
<I/σ(I)>	15.3	2.5
Completeness [%]	83.0	40
Redundancy	5	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	277	30 %MPD, 10mM CuSo4, 0.5 mM Lisoleucine and 50 mM Na-ccodylate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K