2Y33

S-nitrosylated PHD2 (GSNO soaked) in complex with Zn(II) and UN9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-03
Detector	ADSC QUANTUM 315
Spacegroup name	P 63
Unit cell lengths	111.050, 111.050, 40.330
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.350 - 2.000
R-factor	0.209
Rwork	0.209
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2g19
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.190	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.100	0.340
Number of reflections	19446
<I/σ(I)>	14.2	3.2
Completeness [%]	99.7	98.1
Redundancy	5.1	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5		APPROX. 20 MG/ML APO-PHD2, 1MM ZN-ACETATE, 1MM FG2, VAPOR DIFFUSION, SITTING DROP, 30% PEG 4000 (W/V), 0.2M SODIUM ACETATE, 0.1 M TRIS-HCL PH 8.5; PRE-GROWN CRYSTALS WERE SOAKED WITH 50 MM GSNO FOR 12 HR.