6IHR

Crystal structure of bacterial serine phosphatase with His tag

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9735
Spacegroup name	P 21 21 2
Unit cell lengths	78.468, 86.694, 39.186
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.088 - 1.348
R-factor	0.1622
Rwork	0.161
R-free	0.18070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5f1m
RMSD bond length	0.007
RMSD bond angle	0.977
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.100	1.400
High resolution limit [Å]	1.348	1.350
Rmerge	0.087	0.370
Number of reflections	59431	5623
<I/σ(I)>	26.1
Completeness [%]	99.3
Redundancy	9.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.2 M LiSO4, 0.1 M Tris-HCl (pH=8.0), 30% PEG 3350.