3PWE

Crystal structure of the E. coli beta clamp mutant R103C, I305C, C260S, C333S at 2.2A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-03-15
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	79.799, 67.362, 80.742
Unit cell angles	90.00, 114.16, 90.00

Refinement procedure

Resolution	28.502 - 2.199
R-factor	0.2063
Rwork	0.204
R-free	0.24540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mmi
RMSD bond length	0.006
RMSD bond angle	0.969
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.6.3_467)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.280
High resolution limit [Å]	2.200	4.730	2.200
Rmerge	0.099	0.066	0.343
Number of reflections	39765
<I/σ(I)>	11.2
Completeness [%]	99.7	97.8	100
Redundancy	3.1	3.1	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	296	100 mM MES pH 6.0, 125 mM calcium chloride, 30% PEG 400 added in a 1:1 ratio to 1.8 mg/mL protein solution, VAPOR DIFFUSION, HANGING DROP, temperature 296K