4N98

E. coli sliding clamp in complex with 4'-fluorobiphenyl-4-carboxylic acid

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	2011-08-18
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.95
Spacegroup name	P 1 21 1
Unit cell lengths	79.900, 67.160, 81.060
Unit cell angles	90.00, 114.11, 90.00

Refinement procedure

Resolution	30.170 - 1.700
R-factor	0.2584
Rwork	0.256
R-free	0.29640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mmi
RMSD bond length	0.008
RMSD bond angle	1.282
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]	73.989	30.502	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge		0.038	0.683
Total number of observations		18959	86737
Number of reflections	86092
<I/σ(I)>	9.2	12.4	1.1
Completeness [%]	99.9	98.8	99.8
Redundancy	7	6.8	6.9

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