3G1B

The structure of the M53A mutant of Caulobacter crescentus clpS protease adaptor protein in complex with WLFVQRDSKE peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-12-17
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	33.597, 54.017, 44.891
Unit cell angles	90.00, 110.48, 90.00

Refinement procedure

Resolution	22.725 - 1.448
R-factor	0.175
Rwork	0.173
R-free	0.19400
Starting model (for MR)	3dnj
RMSD bond length	0.006
RMSD bond angle	0.818
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	1.500
High resolution limit [Å]	1.450	3.120	1.450
Rmerge	0.057	0.061	0.081
Number of reflections	23780
<I/σ(I)>	34.292
Completeness [%]	88.7	88.7	47.7
Redundancy	5.2	5.2	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.5	300	0.1 M bis-tris pH 5.5, 0.2 M MgCl2, 20% PEG 3350, VAPOR DIFFUSION, temperature 300K