4DX0

Structure of the 14-3-3/PMA2 complex stabilized by a pyrazole derivative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	AREA DETECTOR
Collection date	2011-02-26
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	I 41 2 2
Unit cell lengths	98.450, 98.450, 216.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.830 - 3.400
R-factor	0.3577
Rwork	0.356
R-free	0.39920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3m51
RMSD bond length	0.006
RMSD bond angle	0.897
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	3.600
High resolution limit [Å]	3.400	15.000	3.400
Rmerge	0.070	0.031	0.445
Number of reflections	7386	63	1131
<I/σ(I)>	13.98	30.53	3.77
Completeness [%]	96.1	96.9	97.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	277	0.1M CHES, 1.0M Na-Citrat, 30%(w/v) sucrose, pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K