5MMS

Human cystathionine beta-synthase (CBS) p.P49L delta409-551 variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-3
Synchrotron site	ESRF
Beamline	MASSIF-3
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.967
Spacegroup name	P 1
Unit cell lengths	86.174, 86.783, 97.786
Unit cell angles	102.67, 103.07, 111.19

Refinement procedure

Resolution	76.350 - 2.800
R-factor	0.184
Rwork	0.182
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1jbq
RMSD bond length	0.010
RMSD bond angle	1.120
Data reduction software	XDS (Oct 15, 2015)
Data scaling software	Aimless (0.5.21)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.350	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.131
Rmeas	0.174
Rpim	0.112
Number of reflections	58862
<I/σ(I)>	4.8	1.5
Completeness [%]	98.5	95.6
Redundancy	2.1	2
CC(1/2)		0.620

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	35% w/v PEG 2000 MME 0.15 M KBr