1VBK

Crystal structure of PH1313 from Pyrococcus horikoshii Ot3

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	2003-11-30
Detector	RIGAKU RAXIS V
Wavelength(s)	1.00000
Spacegroup name	P 21 21 21
Unit cell lengths	71.743, 71.164, 141.774
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.470 - 1.900
R-factor	0.203
Rwork	0.199
R-free	0.22200
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.077	0.538
Number of reflections	57832
<I/σ(I)>	9	3.81
Completeness [%]	99.9	100
Redundancy	5.7	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.4	291	MRD, pH 5.4, MICROBATCH, temperature 291K
1	MICROBATCH	5.4	291	MRD, pH 5.4, MICROBATCH, temperature 291K