6ORG

Crystal structure of SpGH29

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-05-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 1 21 1
Unit cell lengths	60.920, 117.160, 64.901
Unit cell angles	90.00, 89.97, 90.00

Refinement procedure

Resolution	41.540 - 1.720
R-factor	0.1735
Rwork	0.172
R-free	0.20270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eyp
RMSD bond length	0.009
RMSD bond angle	1.614
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.540	1.820
High resolution limit [Å]	1.720	1.720
Rmerge	0.082	0.425
Rpim	0.031	0.162
Number of reflections	93880	13538
<I/σ(I)>	16.1	4.8
Completeness [%]	98.0	96.6
Redundancy	7.8	7.8
CC(1/2)	0.998	0.940

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	16 % PEG 3350, 0.15 M KCl, 1 mM DTT and 0.1 M Bis-Tris.