4PNU

E. coli sliding clamp in complex with (R)-6-bromo-9-(2-((R)-1-carboxy-2-phenylethylamino)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	79.895, 67.193, 81.016
Unit cell angles	90.00, 114.54, 90.00

Refinement procedure

Resolution	28.270 - 1.900
R-factor	0.1847
Rwork	0.182
R-free	0.23060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mmi
RMSD bond length	0.007
RMSD bond angle	1.265
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	1.970
High resolution limit [Å]	1.900	4.090	1.900
Rmerge	0.032	0.018	0.380
Number of reflections	61540
<I/σ(I)>	18.3
Completeness [%]	99.7	100	97.4
Redundancy	3.5	3.7	3.1

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