4YGS

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 210
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	122.452, 61.322, 37.470
Unit cell angles	90.00, 107.45, 90.00

Refinement procedure

Resolution	29.200 - 1.700
R-factor	0.1577
Rwork	0.156
R-free	0.19600
RMSD bond length	0.006
RMSD bond angle	1.180
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	1.700
Number of reflections	28855
<I/σ(I)>	19.8
Completeness [%]	98.9
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		287	20% PEG 3000, 0.1M citrate (pH 5.5)