2QCA

A New Crystal Form of Bovine Pancreatic RNase A in Complex with 2'-Deoxyguanosine-5'-monophosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	2006-01-08
Detector	RIGAKU RAXIS
Spacegroup name	P 31
Unit cell lengths	55.080, 55.080, 39.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.540 - 1.330
R-factor	0.1253
Rwork	0.119
R-free	0.17710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rno
RMSD bond length	0.012
RMSD bond angle	0.032
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	CNS
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.540	1.380
High resolution limit [Å]	1.330	1.330
Rmerge	0.049	0.491
Number of reflections	27155
<I/σ(I)>	13.7	0.8
Completeness [%]	89.3	24.9
Redundancy	3.33	1.49

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7	295	Reservoir: 0.6 ml of 30% PEG 3350 in 0.1 M HEPES at pH 7.0. Sample: 2 ul 10-40 mg/ml Protein in 0.1 M HEPES at pH 7.0 and 2 ul of 0.1 M DGP, cholesterol, thymine and oxamic acid in 15% PEG 3350 and 9.1 M HEPES at pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K, pH 7.00