ISDA: 1CIT

X-RAY DIFFRACTION

Crystallization Details

Method	pH	Temprature	Details
X-RAY DIFFRACTION	7.0	?	PROTEIN/DNA COMPLEX CRYSTALS WERE GROWN USING THE VAPOR DIFFUSION METHOD AT 27 DEGREES CELSIUS. THE RESEVOIR CONTAINS 50 MM MORPHOLINO-SULFONIC ACID PH7.0, 250MM AMMONIUM CHLORIDE, 30 % PEG 4000, 5 MM DTT. THE DROPS CONTAINED A 1:1 RATIO OF PROTEIN-COMPLEX TO RESEVOIR.

Unit Cell:

a: 53.420 Å b: 34.240 Å c: 56.260 Å α: 90.00° β: 109.13° γ: 90.00°

Symmetry:

Space Group: P 1 21 1

Crystal Properties:

Matthew's Coefficient: 2.4 Solvent Content: 53.0

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	2.7	18.0	5200	568	95.0	?	0.295	32.8

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
2.7	18.0	95.0	?	0.073	14.5	2.3	?	5200	?	3.0	80.3

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	2.7	2.8	96.9	?	0.368	3.1	?	?

Diffraction

Diffraction experiment

Crystal ID	Scattering Type	Data Collection Temprature	Detector	Detector Type	Details	Collection Date	Monochromator	Protocol
1		100.0 K

Radiation Source

Source	Type	Wavelength List	Synchrotron Site	Beamline
SYNCHROTRON	NSLS BEAMLINE X12B	?	NSLS	X12B

Software