5BSY

Crystal structure of GII.10 P domain in complex with lemon juice

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-11-04
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9845
Spacegroup name	P 1 21 1
Unit cell lengths	65.080, 79.750, 69.470
Unit cell angles	90.00, 100.98, 90.00

Refinement procedure

Resolution	43.446 - 1.600
R-factor	0.1615
Rwork	0.160
R-free	0.18860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3onu
RMSD bond length	0.007
RMSD bond angle	1.050
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.450		1.640
High resolution limit [Å]	1.600	7.150	1.600
Rmerge	0.056	0.018	0.661
Rmeas	0.064	0.020	0.755
Total number of observations	397784
Number of reflections	91761	1071	6666
<I/σ(I)>	15.04	63.4	1.8
Completeness [%]	99.5	98.2	98.4
Redundancy	4.3		4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	sodium nitrate, bis-tris propane, PEG3350