4YT8

SeMet-labelled HmdII from Methanocaldococcus jannaschii

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-04-25
Detector	PSI PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	52.570, 77.970, 153.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.588 - 1.902
R-factor	0.1864
Rwork	0.185
R-free	0.21510
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.193
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.000
High resolution limit [Å]	1.900	12.000	1.900
Rmerge	0.078	0.065	0.586
Rmeas	0.127	0.072	0.386
Total number of observations	276025
Number of reflections	50381	385	16577
<I/σ(I)>	11.8	35.26	2.22
Completeness [%]	99.3	98	95.7
Redundancy	5.3		3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	281	35% (v/v) PEG 300 and 100 mM phosphate-citrate buffer
1	VAPOR DIFFUSION, SITTING DROP	4.2	281	35% (v/v) PEG 300 and 100 mM phosphate-citrate buffer
1	VAPOR DIFFUSION, SITTING DROP	4.2	281	35% (v/v) PEG 300 and 100 mM phosphate-citrate buffer