2FT9

Crystal structure of axolotl (Ambystoma mexicanum) liver bile acid-binding protein bound to cholic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2005-03-15
Detector	ADSC QUANTUM 4
Wavelength(s)	0.979
Spacegroup name	I 41
Unit cell lengths	73.664, 73.664, 61.546
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.500
R-factor	0.26013
Rwork	0.258
R-free	0.31598
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ftb
RMSD bond length	0.009
RMSD bond angle	1.223
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.250	2.560
High resolution limit [Å]	2.500	2.500
Number of reflections	5508
Completeness [%]	96.2	99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.6	293	1.6M sodium citrate, 0.1M hepes, pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K