4ZQ0

crystal structure of Giardia 14-3-3 in complex with the phosphopeptide A8Ap

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	2013-06-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.932
Spacegroup name	P 1 21 1
Unit cell lengths	69.958, 109.408, 78.568
Unit cell angles	90.00, 92.64, 90.00

Refinement procedure

Resolution	48.010 - 3.100
R-factor	0.2066
Rwork	0.203
R-free	0.26570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4f7r
RMSD bond length	0.008
RMSD bond angle	1.187
Data reduction software	XDS
Data scaling software	Aimless (0.3.8)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.010	48.010	3.310
High resolution limit [Å]	3.100	8.770	3.100
Rmerge	0.145	0.034	0.913
Rpim	0.069	0.018	0.437
Total number of observations	113267	4723	20824
Number of reflections	21585
<I/σ(I)>	10.3	34.7	2
Completeness [%]	99.9	99.2	100
Redundancy	5.2	4.8	5.3
CC(1/2)	0.997	0.999	0.712

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	PEG 5000 MME 25% w/v, Lithium acetate 0.2 M