4N94

E. coli sliding clamp in complex with 3,4-difluorobenzamide

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	40.740, 64.510, 71.720
Unit cell angles	74.01, 83.21, 84.54

Refinement procedure

Resolution	28.910 - 1.730
R-factor	0.2509
Rwork	0.249
R-free	0.29280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k3s
RMSD bond length	0.010
RMSD bond angle	1.469
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]	68.626	28.914	1.820
High resolution limit [Å]	1.730	5.470	1.730
Rmerge		0.034	0.551
Total number of observations		7934	32332
Number of reflections	66608
<I/σ(I)>	9.9	13.7	1.4
Completeness [%]	91.7	96.6	84.2
Redundancy	3.6	3.6	3.6

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