4MBB

Cubic crystal form of PIR1 dual specificity phosphatase core

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	77
Detector technology	CCD
Collection date	2013-03-19
Detector	ADSC QUANTUM 270
Wavelength(s)	0.972
Spacegroup name	P 21 3
Unit cell lengths	92.740, 92.740, 92.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.664 - 1.849
R-factor	0.1694
Rwork	0.169
R-free	0.18750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1yn9
RMSD bond length	0.012
RMSD bond angle	1.378
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	1.920
High resolution limit [Å]	1.850	1.850
Number of reflections	22788
Completeness [%]	99.1	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	290	Bis-Tris 0.1M, NaCl 0.2M, polyethylene glycol 3350 22%, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K
1	VAPOR DIFFUSION, HANGING DROP	5.5	290	Bis-Tris 0.1M, NaCl 0.2M, polyethylene glycol 3350 22%, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K