2P6D

Crystal structure of PH0725 from Pyrococcus horikoshii OT3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-09-22
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	105.113, 105.113, 139.603
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.770 - 2.400
Rwork	0.205
R-free	0.22100
Structure solution method	DIFFERENCE FOURIER
Starting model (for MR)	1wng
RMSD bond length	0.012
RMSD bond angle	1.800
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS (1.1)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.061	0.398
Number of reflections	31220
<I/σ(I)>	12.9	6.48
Completeness [%]	100.0	100
Redundancy	13.7	12.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH	5.5	291	3.85M Sodium folmate, 0.1M Sodium acetate, pH 5.5, MICROBATCH, temperature 291K