4YGQ

Crystal structure of HAD phosphatase from Thermococcus onnurineus

Experimental procedure

Experimental method	MAD
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)	1.0000, 0.9795, 0.9796, 0.9718
Spacegroup name	C 1 2 1
Unit cell lengths	121.193, 62.991, 37.541
Unit cell angles	90.00, 106.50, 90.00

Refinement procedure

Resolution	33.000 - 2.000
R-factor	0.1679
Rwork	0.166
R-free	0.20250
RMSD bond length	0.007
RMSD bond angle	1.040
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.000
Number of reflections	17464
<I/σ(I)>	17.8
Completeness [%]	94.7
Redundancy	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		287	35% t-butanol and 1.0 M trisodium citrate (pH 5.6)