5XA5

Crystal structure of HMP-1-HMP-2 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-07-30
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.006
Spacegroup name	P 31 2 1
Unit cell lengths	57.095, 57.095, 155.436
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.547 - 1.600
R-factor	0.1912
Rwork	0.190
R-free	0.22280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.967
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1760))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.859	38.859	1.660
High resolution limit [Å]	1.577	4.990	1.580
Rmerge		0.021	0.555
Rmeas	0.033	0.023	0.627
Rpim	0.014	0.010	0.286
Number of reflections	40755
<I/σ(I)>	23.4	20.4	1.4
Completeness [%]	98.4	99.2	90.3
Redundancy	5.2	4.8	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1M citrate pH 5.6, 0.2M lithium sulfate, 20% PEG 3350