4N95

E. coli sliding clamp in complex with 5-chloroindoline-2,3-dione

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-08-04
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.95
Spacegroup name	P 1
Unit cell lengths	40.720, 64.040, 71.700
Unit cell angles	73.88, 82.29, 84.03

Refinement procedure

Resolution	28.320 - 1.800
R-factor	0.1879
Rwork	0.186
R-free	0.22430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k3s
RMSD bond length	0.007
RMSD bond angle	1.282
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	68.461	28.865	1.900
High resolution limit [Å]	1.800	5.690	1.800
Rmerge		0.032	0.399
Total number of observations		7194	33837
Number of reflections	61187
<I/σ(I)>	14.3	14.8	1.9
Completeness [%]	95.9	97	94.7
Redundancy	3.9	3.7	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