2VXZ

Crystal Structure of hypothetical protein PyrSV_gp04 from Pyrobaculum spherical virus

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	2007-04-30
Detector	ADSC Q4R
Spacegroup name	P 21 21 21
Unit cell lengths	39.753, 46.654, 81.363
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.430 - 1.700
R-factor	0.185
Rwork	0.183
R-free	0.22700
Structure solution method	MAD
Starting model (for MR)	NONE
RMSD bond length	0.009
RMSD bond angle	1.131
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.800
High resolution limit [Å]	1.700	1.700
Rmerge	0.760	0.510
Number of reflections	16318
<I/σ(I)>	11.57	2.26
Completeness [%]	99.1	99.1
Redundancy	2.76	2.71

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		1.8M NACL, 0.112M KH2PI, 0.112M NAH2PI, 0.1M MES, PH6.5