6D67

Crystal structure of the human dual specificity phosphatase 1 catalytic domain (C258S) as a maltose binding protein fusion (maltose bound form) in complex with the designed AR protein mbp3_16

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2016-05-05
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	75.286, 84.699, 105.962
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.574 - 2.550
R-factor	0.1853
Rwork	0.182
R-free	0.25170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mp6 6d65
RMSD bond length	0.008
RMSD bond angle	0.935
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.640
High resolution limit [Å]	2.550	2.550
Rmerge	0.100	0.603
Number of reflections	22649	2139
<I/σ(I)>	18.1	2
Completeness [%]	99.6	96.4
Redundancy	6.5	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	292	0.2 M DL-GLUTAMIC ACID 0.2 M DL-ALANINE 0.2 M GLYCINE 0.2 M DL-LYSINE 0.2 M DL-SERINE 0.1 M TRIS; BICINE 25% MPD 25% PEG1000 25% PEG3350