4N97

E. coli sliding clamp in complex with 5-nitroindole

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Detector technology	CCD
Collection date	2011-08-18
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.95
Spacegroup name	P 1
Unit cell lengths	40.880, 64.780, 72.590
Unit cell angles	73.91, 84.51, 84.89

Refinement procedure

Resolution	28.900 - 1.970
R-factor	0.2361
Rwork	0.232
R-free	0.30650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k3s
RMSD bond length	0.008
RMSD bond angle	1.301
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.21)
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	69.554	28.901	2.080
High resolution limit [Å]	1.970	6.230	1.970
Rmerge		0.032	0.191
Total number of observations		5232	20894
Number of reflections	42650
<I/σ(I)>	12.7	15.4	2.2
Completeness [%]	84.8	94.1	85.2
Redundancy	3.6	3.5	3.3

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