2IT1

Structure of PH0203 protein from Pyrococcus horikoshii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-10-12
Detector	RIGAKU RAXIS V
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	49.230, 85.319, 82.598
Unit cell angles	90.00, 97.16, 90.00

Refinement procedure

Resolution	20.000 - 1.940
R-factor	0.21
Rwork	0.210
R-free	0.25000
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.358
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.010
High resolution limit [Å]	1.940	1.940
Rmerge	0.046
Number of reflections	46653
<I/σ(I)>	12.9
Completeness [%]	98.0	98
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	8.1	295	20% PEG 4000, 0.5M LI2SO4, pH 8.1, microbatch, temperature 295K
1	MICROBATCH	8.1	295	20% PEG 4000, 0.5M LI2SO4, pH 8.1, microbatch, temperature 295K