4JNA

Crystal structure of the DepH complex with dimethyl-FK228

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-26
Detector	RAYONIX MX-225
Wavelength(s)	0.97877
Spacegroup name	P 43 21 2
Unit cell lengths	154.283, 154.283, 71.828
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.981 - 2.000
R-factor	0.1555
Rwork	0.152
R-free	0.22160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fbs
RMSD bond length	0.006
RMSD bond angle	1.220
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.082	0.042	0.625
Number of reflections	57606
<I/σ(I)>	12.7
Completeness [%]	97.1	98.1	90.9
Redundancy	9.8	10.2	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	0.1 M citric acid, 0.2M (NH4)2SO4, 11.75 % PEG4000, pH 5.0, microseeding, VAPOR DIFFUSION, HANGING DROP, temperature 293K