3V98

S663D Stable-5-LOX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2010-10-26
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97915
Spacegroup name	P 1 21 1
Unit cell lengths	55.410, 202.503, 76.971
Unit cell angles	90.00, 109.82, 90.00

Refinement procedure

Resolution	41.491 - 2.070
R-factor	0.167
Rwork	0.166
R-free	0.19670
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.691
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.2_869))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.380	49.380	2.190
High resolution limit [Å]	2.070	3.360	2.070
Number of reflections	96485
Completeness [%]	99.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	295	10% tacsimate , pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K