3VV3

Crystal structure of deseasin MCP-01 from Pseudoalteromonas sp. SM9913

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-12-01
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.9895
Spacegroup name	P 21 21 21
Unit cell lengths	70.792, 72.454, 137.627
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.399 - 1.760
R-factor	0.1679
Rwork	0.167
R-free	0.19540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2sni
RMSD bond length	0.006
RMSD bond angle	1.065
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	3.790	1.820
High resolution limit [Å]	1.760	3.010	1.760
Rmerge	0.043
Number of reflections	70272
Completeness [%]	99.0	99.9	97.3
Redundancy	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.7	277	0.1M HEPES, pH7.7, 70% MPD, 1mM GSH, 1mM GSSG, VAPOR DIFFUSION, HANGING DROP, temperature 277K