ISDA: 1QHP

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	6.0	?	19 MG ML-1 ENZYME IN 10MM TRIS-HCL BUFFER PH 6.0, 0.2M NACL, 5MM CACL2. THE WELL SOLUTION CONTAINED 0.9M LI2SO4, 2.5% PEH 1450, 50MM TEA BUFFER (PH 6.5) AND 100MM MALTOSE.

Unit Cell:

a: 89.760 Å b: 89.760 Å c: 185.710 Å α: 90.00° β: 90.00° γ: 120.00°

Symmetry:

Space Group: P 31 2 1

Crystal Properties:

Matthew's Coefficient: 2.87 Solvent Content: 57.15

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	1.7	20.0	91930	1359	95.8	?	0.1910000	?

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
1.7	20.0	95.8	0.0800000	8.0000000	17.8	5.3	?	460513	?	?	?

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	1.7	1.73	92.5	?	45.0000000	3.1	2.9	?

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
ROTATING ANODE	RIGAKU RU200	?	?	?

Software