4RQM

Crystal structure of the SeMET BICC1 SAM Domain R924E mutant

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-08-13
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	46.810, 64.430, 70.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.603 - 1.750
R-factor	0.2316
Rwork	0.230
R-free	0.26720
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.123
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXCD
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.600	47.600	1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge	0.053	0.046	0.423
Number of reflections	22189
<I/σ(I)>	10.29	21.18	2.05
Completeness [%]	93.0	89.8	92.3
Redundancy	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	35% PEG-550 MME, 100mM MES, 5mM zinc sulfate, pH 7.0, vapor diffusion, hanging drop, temperature 298K