4U86

Human Pin1 with cysteine sulfonic acid 113

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	69.073, 69.073, 79.727
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.550 - 1.600
R-factor	0.198
Rwork	0.196
R-free	0.23073
RMSD bond length	0.025
RMSD bond angle	2.433
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.630
High resolution limit [Å]	1.600	1.600
Rmerge		0.609
Number of reflections	29744
<I/σ(I)>	31.9	1.9
Completeness [%]	99.7	99.4
Redundancy	5.2	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	50mM HEPES7.5 1% PEG400 1.2-1.5M Ammonium Sulfate