7O0J

High resolution structure of recombinant chichen liver Bile Acid Binding Protein (cL-BABP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-04
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.8920
Spacegroup name	P 21 21 21
Unit cell lengths	39.014, 58.931, 71.288
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.550 - 1.400
R-factor	0.1604
Rwork	0.158
R-free	0.20650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1tvq
RMSD bond length	0.023
RMSD bond angle	2.619
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.290	1.480
High resolution limit [Å]	1.400	1.400
Rmerge	0.038	0.649
Rmeas	0.040	0.688
Rpim	0.013	0.225
Number of reflections	32871	4682
<I/σ(I)>	24.3	3.1
Completeness [%]	99.3	98.5
Redundancy	9.3	9.1
CC(1/2)	0.999	0.864

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	281	10 % vol/vol 2-propanol, 20 % PEG4000 and 100 mM Hepes, pH 7.5