4YGR

Crystal structure of HAD phosphatase from Thermococcus onnurineus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-03-12
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	122.540, 61.702, 37.575
Unit cell angles	90.00, 107.35, 90.00

Refinement procedure

Resolution	29.242 - 1.703
R-factor	0.1633
Rwork	0.162
R-free	0.18750
RMSD bond length	0.007
RMSD bond angle	1.063
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.730
High resolution limit [Å]	1.700	1.700
Rmerge		0.339
Number of reflections	28848
<I/σ(I)>	21.7	2.7
Completeness [%]	98.3	95.1
Redundancy	3.5	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	9.5	287	1.0M sodium citrate, 0.1M CHES (pH 9.5)