4HMJ

Crystal structure of Staphylococcal nuclease variant Delta+PHS L36D at cryogenic temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-07-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	31.168, 60.289, 38.342
Unit cell angles	90.00, 93.30, 90.00

Refinement procedure

Resolution	32.320 - 1.350
R-factor	0.1808
Rwork	0.180
R-free	0.19980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3bdc
RMSD bond length	0.020
RMSD bond angle	1.968
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.2.1)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.370
High resolution limit [Å]	1.350	3.660	1.350
Rmerge	0.094	0.094	0.307
Number of reflections	30941
<I/σ(I)>	46.7
Completeness [%]	99.8	98.4	100
Redundancy	6.6	6.5	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	20% MPD, 25 mM potassium phosphate, with calcium chloride and pdTp added to protein in a 3:2:1 ratio, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 277K