4OVH

E. coli sliding clamp in complex with (R)-6-bromo-9-(2-(carboxymethylamino)-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
Detector technology	IMAGE PLATE
Collection date	2013-04-20
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	80.028, 66.423, 80.793
Unit cell angles	90.00, 114.76, 90.00

Refinement procedure

Resolution	29.820 - 2.250
R-factor	0.1918
Rwork	0.189
R-free	0.25010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mmi
RMSD bond length	0.007
RMSD bond angle	1.217
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	2.330
High resolution limit [Å]	2.250	4.840	2.250
Rmerge	0.071	0.036	0.456
Number of reflections	35732
<I/σ(I)>	9.8
Completeness [%]	96.4	100	82.4
Redundancy	3.3	3.6	2.6

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