4MJQ

E. coli sliding clamp in complex with Bromfenac

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	2013-08-10
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	40.993, 65.512, 73.438
Unit cell angles	73.03, 85.29, 85.65

Refinement procedure

Resolution	27.980 - 1.730
R-factor	0.1869
Rwork	0.185
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k3s
RMSD bond length	0.008
RMSD bond angle	1.277
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.790
High resolution limit [Å]	1.730	3.730	1.730
Rmerge	0.034	0.025	0.218
Number of reflections	71197
<I/σ(I)>	22.8
Completeness [%]	93.6	98.5	89.8
Redundancy	3.9	4	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	285	100mM MES, 100-150mM CaCl2, 25-30%(v/v) PEG400, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 285K