2DUM

Crystal structure of hypothetical protein, PH0823

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-05-17
Detector	RIGAKU JUPITER 210
Wavelength(s)	0.97921, 0.9795, 0.964
Spacegroup name	P 43 21 2
Unit cell lengths	120.786, 120.786, 127.098
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.750
R-factor	0.21867
Rwork	0.216
R-free	0.27918
Structure solution method	MAD
RMSD bond length	0.035
RMSD bond angle	2.993
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.000	2.880
High resolution limit [Å]	2.750	2.750
Number of reflections	20726
<I/σ(I)>	14.5675	1.86869
Completeness [%]	87.2	30.88
Redundancy	5.83957

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	28% Pentaerythritol Ethoxylate (5/4 PO/OH), pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K