5C0I

HAL-A02 carrying RQFGPDFPTI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-03-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	55.700, 79.740, 58.080
Unit cell angles	90.00, 115.67, 90.00

Refinement procedure

Resolution	28.300 - 1.530
R-factor	0.161
Rwork	0.159
R-free	0.19050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3utq
RMSD bond length	0.021
RMSD bond angle	2.069
Data reduction software	XDS
Data scaling software	Aimless (0.1.16)
Phasing software	PHASER (2.5.6)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.300	28.300	1.570
High resolution limit [Å]	1.530	6.850	1.530
Rmerge	0.062	0.029	0.623
Rpim	0.036	0.017	0.367
Total number of observations	251619	3009	18766
Number of reflections	68029
<I/σ(I)>	12.1	32.9	2.1
Completeness [%]	99.0	97.5	98.7
Redundancy	3.7	3.8	3.7
CC(1/2)	0.998	0.998	0.818

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2M potassium/sodium tartrate, 0.1M BIS TRIS propane, pH 8.5, 20% PEG 3350