2HYS

Crystal structure of nitrophorin 2 complexed with cyanide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-05-18
Detector	MAR CCD 165 mm
Wavelength(s)	0.9795
Spacegroup name	P 41 21 2
Unit cell lengths	34.377, 34.377, 257.256
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.000 - 1.200
R-factor	0.18715
Rwork	0.186
R-free	0.21625
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1pee
RMSD bond length	0.021
RMSD bond angle	2.057
Data reduction software	CrystalClear ((MSC/RIGAKU))
Data scaling software	CrystalClear ((MSC/RIGAKU))
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.000	1.240
High resolution limit [Å]	1.200	1.200
Rmerge	0.050	0.310
Number of reflections	42640
<I/σ(I)>	24	3.2
Completeness [%]	84.4	85
Redundancy	5.4	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	89% saturated sodium citrate, 100 mM hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K