4O8C

Structure of the H170Y mutant of thermostable p-nitrophenylphosphatase from Bacillus Stearothermophilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Detector technology	CCD
Collection date	2013-04-09
Detector	RAYONIX MX-225
Wavelength(s)	0.97923
Spacegroup name	P 21 21 21
Unit cell lengths	38.754, 83.245, 176.051
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.506 - 2.000
R-factor	0.173
Rwork	0.171
R-free	0.21420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kn8
RMSD bond length	0.011
RMSD bond angle	1.237
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall
Low resolution limit [Å]	40.506
High resolution limit [Å]	2.000
Number of reflections	38730
Completeness [%]	93.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.1M HEPES, 1.9M Ammonium sulphate, 3% PEG400, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K