ISDA: 3QXZ

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	6.5	289	MyabA.00358.c.A1 PS00900 at 53.9 mg/mL 3C cleaved against PACT screen condition H10, 0.2 M NaKHPO4, 0.1 M BisTris propane pH 6.5, 25% PEG3350 with 25% ethylene glycol as cryo-protectant, crystal tracking ID 219606h10, VAPOR DIFFUSION, SITTING DROP, temperature 289K

Unit Cell:

a: 76.170 Å b: 76.170 Å c: 122.520 Å α: 90.000° β: 90.000° γ: 120.000°

Symmetry:

Space Group: P 32

Crystal Properties:

Matthew's Coefficient: 2.46 Solvent Content: 50.08

Refinement Statistics

Diffraction ID	Structure Solution Method	Cross Validation Method	Resolution Limit (High)	Resolution Limit (Low)	Number of Reflections (Observed)	Number of Reflections (R-free)	Percent Reflections (Observed)	R-Work	R-Free	Mean Isotropic
X-RAY DIFFRACTION	MOLECULAR REPLACEMENT	THROUGHOUT	1.3500	50.0000	174539	8736	99.8900	0.1522	0.1689	13.9098

Data Collection

Overall

Resolution Limit (High)	Resolution Limit (Low)	Percent Possible (Observed)	R Merge I (Observed)	R Sym I (Observed)	Net I Over Average Sigma (I)	Redundancy	Number Reflections (All)	Number Reflections (Observed)	Observed Criterion Sigma (F)	Observed Criterion Sigma (I)	B (Isotropic) From Wilson Plot
1.350	50	99.900	0.055	?	15.110	4.5	174722	174539	?	-3.000	18.150

Highest Resolution Shell

#	Resolution Limits (Low)	Resolution Limits (High)	Percent Possible (All)	Percent Possible (Observed)	R-Sym I (Observed)	Mean I Over Sigma (Observed)	Redundancy	Number Unique Reflections (All)
1	1.350	1.390	99.800	?	?	2.900	4.1	13000

Diffraction

Diffraction experiment

Crystal ID	Scattering Type	Data Collection Temprature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1		100 K

Radiation Source

Source	Type	Wavelength List	Synchrotron Site	Beamline
SYNCHROTRON	ALS BEAMLINE 5.0.1	?	ALS	5.0.1

Software