ISDA: 2H3E

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	5.7	293	50 mM Maleic acid, 3 mM sodium azide, 1 mM N-phosphonacetyl-L-isoasparagine, pH 5.7, MICRODIALYSIS, temperature 293K

Unit Cell:

a: 120.320 Å b: 120.320 Å c: 154.510 Å α: 90.000° β: 90.000° γ: 120.000°

Symmetry:

Space Group: P 3 2 1

Crystal Properties:

Matthew's Coefficient: 3.13 Solvent Content: 60.76

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	2.300	28.41	51061	5876	99.800	0.206	0.25	42.288

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
2.300	28.410	99.900	0.097	?	12.100	7.530	57958	57850	0	0	?

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	2.30	2.39	100.00	?	?	4.7	7.52	5054

Diffraction

Diffraction experiment

Crystal ID	Scattering Type	Data Collection Temprature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1		93 K

Radiation Source

Source	Type	Wavelength List	Synchrotron Site	Beamline
ROTATING ANODE	RIGAKU RU200	1.5418	?	?

Software