4QT3

Crystal structure resolution of Plasmodium falciparum FK506 binding domain (FKBP35) in complex with Rapamycin at 1.4A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-06-26
Detector	PSI PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	P 21 21 21
Unit cell lengths	49.476, 50.157, 57.813
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.890 - 1.400
R-factor	0.1494
Rwork	0.147
R-free	0.18710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vn1
RMSD bond length	0.007
RMSD bond angle	1.342
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.150
High resolution limit [Å]	1.400
Number of reflections	28857
Completeness [%]	99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	0.1M MMT, 25% PEG1500, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K