4AOJ

Human TrkA in complex with the inhibitor AZ-23

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2005-11-02
Detector	ADSC CCD
Spacegroup name	I 2 2 2
Unit cell lengths	130.727, 158.419, 152.577
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.750
R-factor	0.2207
Rwork	0.220
R-free	0.24217
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1r0p
RMSD bond length	0.015
RMSD bond angle	1.574
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.060	2.820
High resolution limit [Å]	2.750	2.750
Rmerge	0.070	0.380
Number of reflections	41385
<I/σ(I)>	13	3
Completeness [%]	99.9	100
Redundancy	3.6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8		HANGING DROP METHOD. 1 UL TRKA AT 10 MG/ML IN 10 MG/ML IN 20 MM TRIS PH 8.5, 0.1% CHAPS, 1MM TCEP, 8.7% GLYCEROL MIXED WITH 1 UL MOTHER LIQUOR CONTAINING 35% W/V GLYCEROL, 140 MM NA/K TARTRATE, 100 MM HEPES PH 8.0 SUPPLEMENTED WITH 40 MM ZINC CHLORIDE.