3WJU

Crystal structure of the L68D variant of mLolB from Escherichia coli

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	95
Detector technology	CCD
Collection date	2008-04-19
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 65 2 2
Unit cell lengths	100.889, 100.889, 97.092
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.220 - 2.500
R-factor	0.249
Rwork	0.249
R-free	0.29100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	A chain of 1IWM
RMSD bond length	0.010
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS (1.2)
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.590
High resolution limit [Å]	2.500	2.500
Number of reflections	10408
<I/σ(I)>	55.1	4.3
Completeness [%]	98.3	94.6
Redundancy	15.9	10.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	180mM ammonium sulfate, 25%(w/v) PEG8000, 20mM Tris-Hcl, 5.0%(v/v) MPD, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K