4YT2

Hmd II from Methanocaldococcus jannaschii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-07-26
Detector	PSI PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	52.520, 77.810, 153.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.532 - 1.650
R-factor	0.1821
Rwork	0.180
R-free	0.21790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SeMet-HmdII from M. jannaschii
RMSD bond length	0.012
RMSD bond angle	1.434
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		1.700
High resolution limit [Å]	1.650	12.000	1.650
Rmerge	0.064	0.036	0.565
Rmeas	0.072	0.041	0.632
Total number of observations	373503
Number of reflections	76381	246	6462
<I/σ(I)>	12.08	29.95	2.94
Completeness [%]	99.7	93.5	100
Redundancy	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	281	40% (v/v) PEG 300, 100 mM phosphate-citrate buffer