4QRL

Crystal structure of a lipocalin-like protein (BACUNI_01346) from Bacteroides uniformis ATCC 8492 at 1.79 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-07-02
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 32 2 1
Unit cell lengths	48.851, 48.851, 78.451
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.225 - 1.790
R-factor	0.1727
Rwork	0.170
R-free	0.21990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.000
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.3.0)
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.225	39.230	1.850
High resolution limit [Å]	1.790	3.850	1.790
Rmerge	0.055	0.027	0.725
Number of reflections	10664	1165	986
<I/σ(I)>	18.23	47.5	2.43
Completeness [%]	99.6	99.3	99.9
Redundancy	6.34		6.67

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	277	0.2M calcium chloride, 20.0% 2-propanol, 10.0% 1,2-butanediol, 0.1M sodium acetate pH 4.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K