5M43

Crystal structure of Yvh1 phosphatase domain from Chaetomium thermophilum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-04-30
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	0.8726
Spacegroup name	P 43 21 2
Unit cell lengths	88.758, 88.758, 53.079
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.379 - 1.646
R-factor	0.1644
Rwork	0.163
R-free	0.18680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1wrm
RMSD bond length	0.017
RMSD bond angle	1.373
Data reduction software	XDS
Data scaling software	Aimless (0.5.17)
Phasing software	MOLREP
Refinement software	PHENIX ((1.10.1_2155: ???)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.550	1.670
High resolution limit [Å]	1.646	1.650
Rmerge	0.056	0.620
Number of reflections	25830
<I/σ(I)>	20.6
Completeness [%]	98.5	93.5
Redundancy	8.6	8.2
CC(1/2)	0.999	0.916

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M LiNO3 20% PEG3350